* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    156    244     467
    1     0 S   NP   _N1_     1    29.22346    92.40191   -24.99868
    2     1 S   H    _HN1     2     1.02844    98.61374    -5.78157
    3     1 S   H    _H1_     3     1.02964     9.06824   158.76538
    4     1 S   H    _H2_     4     1.02805   109.17708  -118.62841
    5     1 S   CT   _CA1     5     1.50640   116.46191   113.30844
    6     5 S   HC   _HA1     6     1.09699   104.42535    70.61834
    7     5 S   CO3  _C1_     7     1.54355   110.85502   -44.67695
    8     7 S   O2Z  _O11     8     1.26025   116.81966  -122.11519
    9     7 S   O2Z  _O12     9     1.26583   113.80217    57.02982
   10     5 S   CT   _CB1    10     1.53167   106.83994  -173.67206
   11    10 S   HC   HB11    11     1.09845   109.45627   -42.99159
   12    10 S   HC   HB12    12     1.09768   110.39755    73.58030
   13    10 S   CT   _CG1    13     1.53041   112.66489  -163.64790
   14    13 S   HC   HG11    14     1.09405   110.97888   -67.09008
   15    13 S   HC   HG12    15     1.09684   109.76640    52.12370
   16    13 S   C    _CD1    16     1.51860   112.31694   172.15132
   17    16 S   O    _OE1    17     1.22732   123.33229     3.84160
   18    16 S   N    _N2_    18     1.38628   111.59428  -175.55516
   19    18 S   H    _HN2    19     1.01604   118.94363    -0.38461
   20    18 S   CT1  _CA2    20     1.46255   123.58158   175.90648
   21    20 S   HC   _HA2    21     1.09736   109.35478     3.81567
   22    20 S   C    _C2_    22     1.53621   108.73000  -111.59077
   23    22 S   O    _O2_    23     1.23075   122.29060  -149.85148
   24    20 S   CT   _CB2    32     1.53262   111.36758   125.98593
   25    24 S   HC   HB21    33     1.09458   109.74011    54.34957
   26    24 S   HC   HB22    34     1.09507   110.58224   173.42150
   27    22 S   N    _N3_    24     1.38340   113.78891    37.77163
   28    27 S   H    _HN3    25     1.01566   119.54005    -3.45162
   29    24 S   S    _SG2    35     1.82672   111.23670   -67.19903
   30    27 S   CT   _CA3    26     1.45264   123.25579   177.13467
   31    30 S   HC   HA31    27     1.09547   107.53667   -64.47982
   32    30 S   HC   HA32    28     1.09558   107.96348    51.96040
   33    29 S   CT   _C19    36     1.86865    99.81651   171.21745
   34    33 S   HC   _H3_    37     1.10200   104.51587    17.02322
   35    30 S   CO3  _C3_    29     1.52961   114.07371   173.99390
   36    35 S   O2Z  _O31    30     1.26376   116.09630     1.13539
   37    35 S   O2Z  _O32    31     1.26429   114.40285  -178.82964
   38    33 S   CT   _C14    38     1.55404   106.82513   124.69980
   39    38 S   HC   _H38    39     1.10063   108.16274   -51.22657
   40    38 S   HC   _H39    40     1.09606   108.32859  -162.13304
   41    33 S   CT   _C21    63     1.61577   115.05021  -100.05247
   42    41 S   OM   _O20    64     1.33442   104.57659    78.60324
   43    38 S   CT   _C12    41     1.53846   120.01627    71.34612
   44    43 S   HC   _H34    42     1.09642   109.29775   -64.87083
   45    43 S   HC   _H35    43     1.09764   108.26317  -179.77532
   46    41 S   CO   _C20    65     1.58908   111.43611  -167.11673
   47    46 S   HC   _H46    66     1.09616   110.89732   -27.15807
   48    43 S   CM   _C5_    44     1.50324   113.90589    59.99273
   49    46 S   OS   _O24    67     1.42270   114.59661    97.62487
   50    46 S   OH   _O25    71     1.44150   111.86403  -142.94358
   51    50 S   HO   _H49    72     0.97425   106.30797   -17.33243
   52    48 S   CM   _C4_    45     1.34998   120.82276  -126.44259
   53    52 S   HC   _H29    46     1.08839   119.18464    -6.11408
   54    48 S   CT   _C13    68     1.50239   115.92087    47.22289
   55    54 S   HC   _H36    69     1.09442   113.97529    15.06718
   56    54 S   HC   _H37    70     1.09686   108.66075   131.54766
   57    52 S   CT   _C16    47     1.50168   123.96390   162.18865
   58    57 S   HC   _H42    48     1.09670   111.29815    21.37952
   59    57 S   CT   _C17    49     1.53573   113.45804  -104.67707
   60    59 S   HC   _H43    50     1.10164   110.20656   -51.60296
   61    59 S   CM   _C6_    51     1.49958    96.52744  -160.42222
   62    59 S   CT   _C18    58     1.55701   115.60682    70.97439
   63    62 S   HC   _H44    59     1.09158   109.67931    55.17156
   64    61 S   CO4  _C7_    52     1.48726   106.99317    33.08195
   65    64 S   O    _O21    53     1.21728   127.24066   163.71381
   66    61 S   CM   _C8_    55     1.33520   132.45810  -144.02937
   67    66 S   HC   _H30    56     1.08231   122.04857    -1.38847
   68    66 S   HC   _H31    57     1.08567   121.38973   178.41934
   69    62 S   CT   _C15    60     1.56040   111.24994   -72.19220
   70    69 S   HC   _H40    61     1.10418   107.27036  -107.15432
   71    69 S   HC   _H41    62     1.08986   107.96266     1.57731
   72    62 S   OS   _O27    73     1.45474   106.50035   173.20526
   73    57 S   OS   _O23    54     1.43685   110.32466   138.44573
   74    72 S   CO4  _C11    74     1.35916   118.06143  -148.94374
   75    74 S   O    _O22    75     1.22227   126.26803     4.10083
   76    74 S   CM   _C10    76     1.49002   109.30810  -176.76790
   77    76 S   CM   _C9_    77     1.34182   117.12282  -165.81301
   78    77 S   HC   _H32    78     1.08544   120.94261   179.88297
   79    77 S   HC   _H33    79     1.08534   122.41699    -0.25334
   80    76 S   CT   _C22    80     1.49903   120.33862    13.63134
   81    80 S   HC   _H47    81     1.09531   110.88902   -55.80688
   82    80 S   HC   _H48    82     1.09520   111.78067  -176.02448
   83    80 S   OH   _O26    83     1.42060   109.19964    64.61044
   84    83 S   HO   _H50    84     0.97581   106.87492  -171.26619
  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   8   2   1   1  12   6   5  15   8  10   4   3  12   5  10
   7   3   1  12   5   3   1   1  12   6  15   8  10  11   5   5
   2   3   1   1   4   2   1   5   1   9   3   8   6   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    69    41    42    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    48    62    69    70    71    41    42    46    47    49    50  
   38    39    40    43    69    41    42    46  
   36    37  
   37  
    0  
   39    40    43    44    45    48    52    69    41    42    46    54  
   40    43    44    45    48    41  
   43    44    45    48    41  
   42    46    47    49    54    50    51    72    43    59    62    63    69    70    71  
   46    47    49    50    62    69    70    71  
   44    45    48    52    53    57    49    54    55    56  
   45    48    52    54  
   48    52    54  
   47    49    54    55    56    50    51    48    62    69    70    71  
   49    54    50    51    69  
   52    53    57    58    59    73    49    54    55    56  
   54    55    56    50    51    52    69  
   51    54    69  
    0  
   53    57    58    59    60    61    64    73    62    54    55    56  
   57    58    59    73    54  
   55    56    57  
   56  
    0  
   58    59    60    61    64    65    73    66    62    63    69    72  
   59    60    61    64    73    62  
   60    61    64    65    73    66    67    68    62    63    69    70    71    72    74  
   61    64    73    66    62    63    69    72  
   64    65    73    66    67    68    62    63    69    72  
   63    69    70    71    72    74    75    76    64    66    73  
   69    70    71    72    74  
   65    73    66    67    68  
   73    66  
   67    68    73  
   68  
    0  
   70    71    72    74  
   71    72  
   72  
   74    75    76    77    80  
    0  
   75    76    77    78    79    80    81    82    83  
   76    77    80  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82    83  
   79    80  
   80  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.510
   48    52   549.000  1.340
   48    54   317.000  1.510
   52    53   340.000  1.080
   52    57   317.000  1.510
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    73   320.000  1.410
   59    60   340.000  1.090
   59    61   317.000  1.510
   59    62   268.000  1.529
   61    64   320.000  1.462
   61    66   549.000  1.340
   64    65   570.000  1.229
   64    73   214.000  1.327
   66    67   340.000  1.080
   66    68   340.000  1.080
   62    63   340.000  1.090
   62    69   268.000  1.529
   62    72   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    41   268.000  1.529
   41    42   570.000  1.307
   41    46   250.000  1.527
   46    47   340.000  1.090
   46    49   320.000  1.380
   46    50   380.000  1.407
   49    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   50    51   553.000  0.945
   72    74   214.000  1.327
   74    75   570.000  1.229
   74    76   320.000  1.462
   76    77   549.000  1.340
   76    80   317.000  1.510
   77    78   340.000  1.080
   77    79   340.000  1.080
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   320.000  1.410
   83    84   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    69    58.35000  112.70000
   33    41    42    50.00000  109.50000
   33    41    46    75.00000  109.43000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    48    70.00000  112.02700
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    48    52    70.00000  124.00000
   43    48    54    65.00000  117.92700
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   48    52    53    35.00000  120.00000
   48    52    57    70.00000  124.00000
   48    54    49    85.00000  110.90400
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   52    57    58    35.00000  109.50000
   52    57    59    70.00000  112.02700
   52    57    73    85.00000  110.90400
   57    52    53    35.00000  117.00000
   57    59    60    37.50000  110.70000
   57    59    61    70.00000  112.02700
   57    59    62    58.35000  112.70000
   57    73    64    83.00000  116.90000
   59    57    58    37.50000  110.70000
   59    61    64    65.00000  116.34900
   59    61    66    70.00000  124.00000
   59    62    63    37.50000  110.70000
   59    62    69    58.35000  112.70000
   59    62    72    50.00000  109.50000
   61    59    60    35.00000  109.50000
   61    64    65    80.00000  123.72100
   61    64    73    90.00000  111.29400
   61    66    67    35.00000  120.00000
   61    66    68    35.00000  120.00000
   73    57    58    35.00000  109.50000
   73    57    59    50.00000  109.50000
   73    64    65    83.00000  123.40000
   66    61    64    65.00000  118.96000
   68    66    67    35.00000  117.00000
   62    59    60    37.50000  110.70000
   62    59    61    70.00000  112.02700
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    41    58.35000  112.70000
   62    72    74    83.00000  116.90000
   69    62    63    37.50000  110.70000
   69    41    42    50.00000  109.50000
   69    41    46    75.00000  109.43000
   71    69    70    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    69    70    37.50000  110.70000
   41    69    71    37.50000  110.70000
   41    46    47    45.00000  112.01100
   41    46    49    90.00000  108.56700
   41    46    50    90.00000  110.19100
   46    41    42    90.00000  109.38000
   46    49    54    60.00000  109.50000
   46    50    51    70.00000  107.92000
   49    46    47    35.00000  109.50000
   49    54    55    35.00000  109.50000
   49    54    56    35.00000  109.50000
   54    48    52    70.00000  124.00000
   56    54    55    33.00000  107.80000
   50    46    47    60.00000  108.02500
   50    46    49   110.00000  112.08000
   72    62    63    35.00000  109.50000
   72    62    69    50.00000  109.50000
   72    74    75    83.00000  123.40000
   72    74    76    90.00000  111.29400
   74    76    77    65.00000  118.96000
   74    76    80    65.00000  116.34900
   76    74    75    80.00000  123.72100
   76    77    78    35.00000  120.00000
   76    77    79    35.00000  120.00000
   76    80    81    35.00000  109.50000
   76    80    82    35.00000  109.50000
   76    80    83    90.00000  110.39200
   79    77    78    35.00000  117.00000
   80    76    77    70.00000  124.00000
   80    83    84    55.00000  108.50000
   82    80    81    33.00000  107.80000
   83    80    81    35.00000  109.50000
   83    80    82    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    69   0.44750  1.0 1.0
   29    33    41    69  -0.17800 -1.0 2.0
   29    33    41    69   0.20200  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    48   0.34400  1.0 1.0
   33    38    43    48   0.09450 -1.0 2.0
   33    38    43    48   0.11100  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    49   0.62750  1.0 1.0
   33    41    46    49  -0.30950 -1.0 2.0
   33    41    46    49   0.27300  1.0 3.0
   33    41    46    50   0.86500  1.0 1.0
   33    41    46    50  -0.17500 -1.0 2.0
   33    41    46    50   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    69   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   38    33    41    69   0.56750  1.0 1.0
   38    33    41    69  -0.07550 -1.0 2.0
   38    33    41    69   0.20000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    46   3.97050  1.0 1.0
   38    43    48    52   0.09850  1.0 1.0
   38    43    48    52   0.15250 -1.0 2.0
   38    43    48    52  -0.50650  1.0 3.0
   38    43    48    54   0.46850  1.0 1.0
   38    43    48    54   0.08550 -1.0 2.0
   38    43    48    54   0.09800  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    48   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    45   0.15000  1.0 3.0
   40    38    43    48   0.15000  1.0 3.0
   43    48    52    53   7.00000 -1.0 2.0
   43    48    52    57   7.00000 -1.0 2.0
   43    48    54    49   0.09700  1.0 1.0
   43    48    54    49   0.15600 -1.0 2.0
   43    48    54    49  -0.50800  1.0 3.0
   43    48    54    55   0.34800  1.0 3.0
   43    48    54    56   0.34800  1.0 3.0
   44    43    48    52   0.00000  1.0 1.0
   44    43    48    54   0.34800  1.0 3.0
   45    43    48    52   0.00000  1.0 1.0
   45    43    48    54   0.34800  1.0 3.0
   48    52    57    58   0.00000  1.0 1.0
   48    52    57    59   0.09850  1.0 1.0
   48    52    57    59   0.15250 -1.0 2.0
   48    52    57    59  -0.50650  1.0 3.0
   48    52    57    73   0.39000  1.0 1.0
   48    52    57    73  -0.05800 -1.0 2.0
   48    52    57    73  -0.55150  1.0 3.0
   52    48    54    49   0.39000  1.0 1.0
   52    48    54    49  -0.05800 -1.0 2.0
   52    48    54    49  -0.55150  1.0 3.0
   52    48    54    55   0.00000  1.0 1.0
   52    48    54    56   0.00000  1.0 1.0
   52    57    59    60   0.15000  1.0 3.0
   52    57    59    61   0.31000  1.0 1.0
   52    57    59    61   0.14700 -1.0 2.0
   52    57    59    61   0.07550  1.0 3.0
   52    57    59    62   0.34400  1.0 1.0
   52    57    59    62   0.09450 -1.0 2.0
   52    57    59    62   0.11100  1.0 3.0
   52    57    73    64  -0.82050  1.0 1.0
   52    57    73    64   0.00600 -1.0 2.0
   52    57    73    64   0.04400  1.0 3.0
   53    52    57    58   0.33100  1.0 3.0
   53    52    57    59   0.00000  1.0 1.0
   53    52    57    73   0.00000  1.0 1.0
   57    59   -61    64   0.09700  1.0 1.0
   57    59   -61    64   0.15600 -1.0 2.0
   57    59   -61    64  -0.50800  1.0 3.0
   57    59    61    66   0.09850  1.0 1.0
   57    59    61    66   0.15250 -1.0 2.0
   57    59    61    66  -0.50650  1.0 3.0
   57    59    62    63   0.15000  1.0 3.0
   57    59    62    69   0.56750  1.0 1.0
   57    59    62    69  -0.07550 -1.0 2.0
   57    59    62    69   0.20000  1.0 3.0
   57    59    62    72   0.62750  1.0 1.0
   57    59    62    72  -0.30950 -1.0 2.0
   57    59    62    72   0.27300  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    62   0.15000  1.0 3.0
   58    57    73    64   0.08050  1.0 3.0
   59    57   -73    64  -0.25900  1.0 1.0
   59    57   -73    64  -0.47000 -1.0 2.0
   59    57   -73    64   0.11750  1.0 3.0
   59    61    64    65  -0.64400  1.0 1.0
   59    61    64    65   0.26850 -1.0 2.0
   59    61   -64    73  -0.15000  1.0 1.0
   59    61   -64    73   0.89550 -1.0 2.0
   59    61   -64    73  -0.06900  1.0 3.0
   59    61    66    67   7.00000 -1.0 2.0
   59    61    66    68   7.00000 -1.0 2.0
   59    62    69    70   0.15000  1.0 3.0
   59    62    69    71   0.15000  1.0 3.0
   59    62    69    41   0.56750  1.0 1.0
   59    62    69    41  -0.07550 -1.0 2.0
   59    62    69    41   0.20000  1.0 3.0
   59    62    72    74  -0.25900  1.0 1.0
   59    62    72    74  -0.47000 -1.0 2.0
   59    62    72    74   0.11750  1.0 3.0
   60    59    61    64   0.15000  1.0 3.0
   60    59    61    66   0.00000  1.0 1.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    69   0.15000  1.0 3.0
   60    59    62    72   0.23400  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    69   0.34400  1.0 1.0
   61    59    62    69   0.09450 -1.0 2.0
   61    59    62    69   0.11100  1.0 3.0
   61    59    62    72   0.61850  1.0 1.0
   61    59    62    72  -0.22750 -1.0 2.0
   61    59    62    72   0.15300  1.0 3.0
   61    64   -73    57   2.00000 -1.0 2.0
   64    61    66    67   7.00000 -1.0 2.0
   64    61    66    68   7.00000 -1.0 2.0
   65    64    73    57   3.00000 -1.0 2.0
   73    57    59    60   0.23400  1.0 3.0
   73    57   -59    61   0.61850  1.0 1.0
   73    57   -59    61  -0.22750 -1.0 2.0
   73    57   -59    61   0.15300  1.0 3.0
   73    57    59    62   0.62750  1.0 1.0
   73    57    59    62  -0.30950 -1.0 2.0
   73    57    59    62   0.27300  1.0 3.0
   66    61    64    65   1.00000 -1.0 2.0
   66    61    64    73  -0.56150  1.0 1.0
   66    61    64    73   2.19150 -1.0 2.0
   62    59    61    64   0.09700  1.0 1.0
   62    59    61    64   0.15600 -1.0 2.0
   62    59    61    64  -0.50800  1.0 3.0
   62    59    61    66   0.09850  1.0 1.0
   62    59    61    66   0.15250 -1.0 2.0
   62    59    61    66  -0.50650  1.0 3.0
   62    69    41    33   0.56750  1.0 1.0
   62    69    41    33  -0.07550 -1.0 2.0
   62    69    41    33   0.20000  1.0 3.0
   62    69    41    42   0.62750  1.0 1.0
   62    69    41    42  -0.30950 -1.0 2.0
   62    69    41    42   0.27300  1.0 3.0
   62    69    41    46   3.97050  1.0 1.0
   62    72    74    75   3.00000 -1.0 2.0
   62    72    74    76   2.00000 -1.0 2.0
   63    62    69    70   0.15000  1.0 3.0
   63    62    69    71   0.15000  1.0 3.0
   63    62    69    41   0.15000  1.0 3.0
   63    62    72    74   0.08050  1.0 3.0
   69    62    72    74  -0.25900  1.0 1.0
   69    62    72    74  -0.47000 -1.0 2.0
   69    62    72    74   0.11750  1.0 3.0
   69    41    46    47   0.15000  1.0 3.0
   69    41    46    49   0.62750  1.0 1.0
   69    41    46    49  -0.30950 -1.0 2.0
   69    41    46    49   0.27300  1.0 3.0
   69    41    46    50   0.86500  1.0 1.0
   69    41    46    50  -0.17500 -1.0 2.0
   69    41    46    50   0.20800  1.0 3.0
   70    69    41    33   0.15000  1.0 3.0
   70    69    41    42   0.23400  1.0 3.0
   70    69    41    46   0.15000  1.0 3.0
   71    69    41    33   0.15000  1.0 3.0
   71    69    41    42   0.23400  1.0 3.0
   71    69    41    46   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   41    46    49    54   0.06250  1.0 1.0
   41    46    49    54  -0.01100 -1.0 2.0
   41    46    49    54   0.28050  1.0 3.0
   41    46    50    51  -0.11600  1.0 1.0
   41    46    50    51  -0.09450 -1.0 2.0
   41    46    50    51   0.21250  1.0 3.0
   42    41    46    47   0.23400  1.0 3.0
   42    41    46    49   1.11900  1.0 1.0
   42    41    46    49  -1.16350 -1.0 2.0
   42    41    46    49  -0.34150  1.0 3.0
   42    41    46    50   3.69350  1.0 1.0
   42    41    46    50  -1.82950 -1.0 2.0
   46    49    54    48  -0.77900  1.0 1.0
   46    49    54    48  -0.36900 -1.0 2.0
   46    49    54    48   0.40400  1.0 3.0
   46    49    54    55   0.37050  1.0 3.0
   46    49    54    56   0.37050  1.0 3.0
   47    46    49    54   0.37050  1.0 3.0
   47    46    50    51   0.19450  1.0 3.0
   49    46    50    51  -0.50000  1.0 1.0
   49    46    50    51  -0.73950 -1.0 2.0
   49    46    50    51   0.17150  1.0 3.0
   54    48    52    53   7.00000 -1.0 2.0
   54    48    52    57   7.00000 -1.0 2.0
   50    46    49    54  -0.70900  1.0 1.0
   50    46    49    54  -1.18000 -1.0 2.0
   50    46    49    54   0.91650  1.0 3.0
   72    62    69    70   0.23400  1.0 3.0
   72    62    69    71   0.23400  1.0 3.0
   72    62    69    41   0.62750  1.0 1.0
   72    62    69    41  -0.30950 -1.0 2.0
   72    62    69    41   0.27300  1.0 3.0
   72    74    76    77  -0.56150  1.0 1.0
   72    74    76    77   2.19150 -1.0 2.0
   72    74    76    80  -0.15000  1.0 1.0
   72    74    76    80   0.89550 -1.0 2.0
   72    74    76    80  -0.06900  1.0 3.0
   74    76    77    78   7.00000 -1.0 2.0
   74    76    77    79   7.00000 -1.0 2.0
   74    76    80    81   0.15000  1.0 3.0
   74    76    80    82   0.15000  1.0 3.0
   74    76    80    83   0.09700  1.0 1.0
   74    76    80    83   0.15600 -1.0 2.0
   74    76    80    83  -0.50800  1.0 3.0
   75    74    76    77   1.00000 -1.0 2.0
   75    74    76    80  -0.64400  1.0 1.0
   75    74    76    80   0.26850 -1.0 2.0
   76    80    83    84  -0.07800  1.0 1.0
   76    80    83    84  -0.21500 -1.0 2.0
   76    80    83    84  -0.03150  1.0 3.0
   77    76    80    81   0.00000  1.0 1.0
   77    76    80    82   0.00000  1.0 1.0
   77    76    80    83   0.67800  1.0 1.0
   77    76    80    83   0.47050 -1.0 2.0
   77    76    80    83  -0.62500  1.0 3.0
   80    76    77    78   7.00000 -1.0 2.0
   80    76    77    79   7.00000 -1.0 2.0
   81    80    83    84   0.19450  1.0 3.0
   82    80    83    84   0.19450  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   43    54    48    52   1.10000 -1.0 2.0
   57    53    52    48   1.10000 -1.0 2.0
   59    64    61    66   1.10000 -1.0 2.0
   61    73    64    65  10.50000 -1.0 2.0
   67    68    66    61   1.10000 -1.0 2.0
   72    76    74    75  10.50000 -1.0 2.0
   74    80    76    77  15.00000 -1.0 2.0
   78    79    77    76  15.00000 -1.0 2.0
END
