* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    143    236     426
    1     0 S   NP   _N1_     1    28.03270    96.28681   -23.73711
    2     1 S   H    _HN1     2     1.02778   107.90661  -117.69732
    3     1 S   H    _H1_     3     1.02957    81.23875   -11.16592
    4     1 S   H    _H2_     4     1.02836    27.67906   147.79293
    5     1 S   CT   _CA1     5     1.50150   131.06484    98.31578
    6     5 S   HC   _HA1     6     1.09577   105.18865    81.41778
    7     5 S   CO3  _C1_     7     1.53768   112.26122   -38.71632
    8     7 S   O2Z  _O11     8     1.26368   114.99330   -45.57056
    9     7 S   O2Z  _O12     9     1.26225   114.92092   133.31519
   10     5 S   CT   _CB1    10     1.53076   107.39399  -160.74029
   11    10 S   HC   HB11    11     1.09833   109.28170   -50.38731
   12    10 S   HC   HB12    12     1.09813   110.46520    66.14371
   13    10 S   CT   _CG1    13     1.53044   112.70739  -171.42701
   14    13 S   HC   HG11    14     1.09591   110.54714   -65.48441
   15    13 S   HC   HG12    15     1.09660   109.87762    53.73961
   16    13 S   C    _CD1    16     1.51861   112.17595   174.07679
   17    16 S   O    _OE1    17     1.22778   123.23620     3.50811
   18    16 S   N    _N2_    18     1.38534   111.84944  -176.47297
   19    18 S   H    _HN2    19     1.01583   119.22866     3.02718
   20    18 S   CT1  _CA2    20     1.45841   122.76908   177.63586
   21    20 S   HC   _HA2    21     1.09747   108.78022    27.16366
   22    20 S   C    _C2_    22     1.52975   107.10179   -89.75071
   23    22 S   O    _O2_    23     1.22974   123.12887   -26.63149
   24    20 S   CT   _CB2    32     1.53280   112.35528   150.33539
   25    24 S   HC   HB21    33     1.09471   109.71363    53.96994
   26    24 S   HC   HB22    34     1.09378   109.72719   172.70782
   27    22 S   N    _N3_    24     1.38525   112.51756   155.87880
   28    27 S   H    _HN3    25     1.01653   120.33039    -1.61810
   29    24 S   S    _SG2    35     1.82749   110.71763   -66.81484
   30    27 S   CT   _CA3    26     1.45339   122.48817   178.66705
   31    30 S   HC   HA31    27     1.09566   107.72267   -57.69446
   32    30 S   HC   HA32    28     1.09564   107.69158    58.63064
   33    29 S   CT   _C21    36     1.90804   101.33592  -174.35416
   34    30 S   CO3  _C3_    29     1.52890   114.33209  -179.53775
   35    34 S   O2Z  _O31    30     1.26339   116.07705    -0.27836
   36    34 S   O2Z  _O32    31     1.26442   114.40529   179.72164
   37    33 S   CO4  _C22    37     1.55388   107.46100  -177.11364
   38    37 S   O    _O37    38     1.23919   120.19438   -21.46140
   39    33 S   CT   _C20    70     1.55580   111.06137   -54.31224
   40    39 S   OM   _O39    71     1.32451   112.33521   -59.82740
   41    39 S   HC   _H4_    72     1.10007   106.95134    73.56469
   42    33 S   C    _C23    73     1.55418   104.21888    66.00244
   43    42 S   O    _O38    74     1.23058   123.54041  -108.83764
   44    37 S   CT   _C16    39     1.57691   117.52174   163.31102
   45    44 S   OM   _O40    40     1.33493   103.07329   122.97252
   46    42 S   N    _N4_    75     1.37794   114.92690    69.90393
   47    46 S   H    _H13    76     1.01549   122.09581     1.01201
   48    46 S   H    _H14    77     1.01313   120.59183  -179.89165
   49    44 S   CMA  _C15    41     1.58062   114.10550  -118.71942
   50    49 S   OM   _O35    42     1.27051   112.65251   -38.34644
   51    49 S   CM   _C7_    43     1.36533   118.96544   140.16046
   52    51 S   CM   _C6_    44     1.45846   125.48276     0.85661
   53    52 S   CM   _C5_    45     1.35489   121.43045  -163.04802
   54    52 S   CT   _C18    63     1.50898   114.62574    16.98761
   55    54 S   HC   _H11    64     1.09748   109.26213    75.02395
   56    54 S   HC   _H12    65     1.09521   112.29254  -167.76523
   57    53 S   CA   _C10    46     1.49950   119.62293     8.36133
   58    53 S   CT   _C4_    59     1.50678   120.96896  -168.51146
   59    58 S   HC   _H5_    60     1.09388   111.22628   -92.23182
   60    58 S   HC   _H6_    61     1.09553   111.90672    28.36528
   61    58 S   HC   _H7_    62     1.09513   111.48344   144.54668
   62    44 S   CT   _C17    66     1.55903   110.80514     9.92246
   63    62 S   HC   _H3_    67     1.10189   110.63131    69.76723
   64    57 S   CA   _C9_    47     1.41537   117.97420   -23.62772
   65    62 S   CO4  _C19    68     1.54012   114.18641   -47.10447
   66    65 S   O    _O36    69     1.23789   120.96314  -149.89076
   67    51 S   CO4  _C8_    48     1.50243   119.24053   176.58344
   68    67 S   O    _O34    49     1.22508   124.27965   -32.68834
   69    64 S   CA   _C14    50     1.40753   121.40264  -174.74424
   70    69 S   CA   _C13    51     1.38691   120.51946    -1.97140
   71    70 S   HA   _H9_    52     1.08623   120.69026  -179.52358
   72    69 S   OH   _O33    57     1.36952   123.63499   179.23204
   73    72 S   HO   _H10    58     0.97445   108.81593    -2.32212
   74    70 S   CA   _C12    53     1.38731   119.30734    -1.63075
   75    74 S   HA   _H8_    54     1.08808   118.59639  -177.06722
   76    57 S   CA   _C11    55     1.41597   125.51026   156.54400
   77    76 S   Cl   Cl1_    56     1.73457   124.26775    -9.42354
  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  11   5   4   3
  16   2   1   1  16   6  11   5   4   6   3  13   7   2   1   1
  11   4  12  16  15   9   4   3  14   5   2   1   1   3   2  10
   1   1   5   1   7   7   4   2   1   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    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    65    39    40    41    42    43    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    45    49    62    65    66    39    40    41    42    43    46    47    48  
   35    36  
   36  
    0  
   38    44    45    49    50    51    54    62    63    65    39    40    41    42    43    46  
   44    45    49    62    39    42  
   40    41    42    43    46    44    54    62    63    65    66  
   41    42    62    65    66  
   42    62    65    66  
   43    46    47    48    44    65  
   46    47    48  
   45    49    50    51    52    67    54    55    56    62    63    65    66  
   49    50    51    54    62    63    65  
   47    48  
   48  
    0  
   50    51    52    53    64    67    68    54    62    63    65  
   51    52    67    62  
   52    53    57    64    67    68    69    58    54    55    56    62  
   53    57    64    67    68    76    58    59    60    61    54    55    56    62    63    65  
   57    64    67    69    74    76    77    58    59    60    61    54    55    56    62  
   55    56    62    63    65    66    57    58    67  
   56    62    63    65  
   62    63    65  
   64    67    68    69    70    74    75    76    77    72    58    59    60    61  
   59    60    61    64    76  
   60    61  
   61  
    0  
   63    65    66  
   65    66  
   67    68    69    70    71    74    76    77    72    73  
   66  
    0  
   68    69    70    76    72  
   69  
   70    71    74    75    76    72    73  
   71    74    75    76    77    72    73  
   74    75    76    72  
   73    74  
    0  
   75    76    77  
   76    77  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   44   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   46   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   47   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   48   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   50   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   51   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660  -0.120000   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   268.000  1.529
   33    42   317.000  1.522
   37    38   570.000  1.229
   37    44   317.000  1.522
   44    45   570.000  1.307
   44    49   270.000  1.512
   44    62   268.000  1.529
   49    50   745.000  1.250
   49    51   465.000  1.376
   51    52   380.000  1.444
   51    67   320.000  1.462
   52    53   549.000  1.340
   52    54   317.000  1.510
   53    57   320.000  1.460
   53    58   317.000  1.510
   57    64   469.000  1.400
   57    76   469.000  1.400
   64    67   310.000  1.470
   64    69   469.000  1.400
   67    68   570.000  1.229
   69    70   469.000  1.400
   69    72   450.000  1.364
   70    71   367.000  1.080
   70    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   300.000  1.725
   72    73   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    62   268.000  1.529
   62    63   340.000  1.090
   62    65   317.000  1.522
   65    66   570.000  1.229
   65    39   317.000  1.522
   39    40   570.000  1.307
   39    41   340.000  1.090
   42    43   570.000  1.229
   42    46   490.000  1.335
   46    47   434.000  1.010
   46    48   434.000  1.010
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  110.18000
   29    33    39    75.00000  111.63000
   29    33    42    70.00000  112.33000
   33    37    38    80.00000  120.40000
   33    37    44    70.00000  116.00000
   33    39    65    63.00000  111.10000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    42    43    80.00000  120.40000
   33    42    46    70.00000  116.60000
   37    44    45    90.00000  108.74100
   37    44    49    70.00000  109.06800
   37    44    62    63.00000  111.10000
   44    37    38    80.00000  120.40000
   44    49    50    85.00000  112.85300
   44    49    51    65.00000  122.18000
   44    62    54    58.35000  112.70000
   44    62    63    37.50000  110.70000
   44    62    65    63.00000  111.10000
   49    44    45    85.00000  110.90400
   49    51    52    70.00000  117.34000
   49    51    67    60.00000  125.92000
   51    49    50    65.00000  137.10300
   51    52    53    70.00000  123.01800
   51    52    54    70.00000  124.00000
   51    67    64    65.00000  117.02400
   51    67    68    80.00000  123.72100
   52    53    57    60.00000  123.20500
   52    53    58    70.00000  124.00000
   52    54    55    35.00000  109.50000
   52    54    56    35.00000  109.50000
   52    54    62    70.00000  112.02700
   53    57    64    60.00000  120.93500
   53    57    76    60.00000  120.93500
   53    58    59    35.00000  109.50000
   53    58    60    35.00000  109.50000
   53    58    61    35.00000  109.50000
   57    64    67    60.00000  119.52600
   57    64    69    63.00000  120.00000
   57    76    74    63.00000  120.00000
   57    76    77    75.00000  120.00000
   64    67    68    75.00000  123.78400
   64    69    70    63.00000  120.00000
   64    69    72    70.00000  120.00000
   67    51    52    65.00000  118.96000
   69    64    67    60.00000  119.52600
   69    70    71    35.00000  120.00000
   69    70    74    63.00000  120.00000
   69    72    73    35.00000  113.00000
   70    74    75    35.00000  120.00000
   70    74    76    63.00000  120.00000
   74    70    71    35.00000  120.00000
   74    76    77    75.00000  120.00000
   76    57    64    63.00000  120.00000
   76    74    75    35.00000  120.00000
   72    69    70    70.00000  120.00000
   58    53    57    65.00000  118.87000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   54    52    53    70.00000  124.00000
   54    62    63    37.50000  110.70000
   54    62    65    63.00000  111.10000
   56    54    55    33.00000  107.80000
   62    44    45    50.00000  109.50000
   62    44    49    70.00000  112.02700
   62    54    55    37.50000  110.70000
   62    54    56    37.50000  110.70000
   62    65    66    80.00000  120.40000
   62    65    39    70.00000  116.00000
   65    62    63    35.00000  109.50000
   65    39    40    90.00000  108.74100
   65    39    41    35.00000  109.50000
   39    33    37    63.00000  111.10000
   39    65    66    80.00000  120.40000
   41    39    40    45.00000  125.66300
   42    33    37    70.00000  107.85200
   42    33    39    63.00000  111.10000
   42    46    47    35.00000  119.80000
   42    46    48    35.00000  119.80000
   46    42    43    80.00000  122.90000
   48    46    47    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    44   0.65300  1.0 1.0
   29    33    37    44  -0.03850 -1.0 2.0
   29    33    37    44   0.33900  1.0 3.0
   29    33    39    65   0.56750  1.0 1.0
   29    33    39    65  -0.07550 -1.0 2.0
   29    33    39    65   0.20000  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    42    43   0.30150 -1.0 2.0
   29    33    42    46   0.00000  1.0 1.0
   33    37    44    45   0.55300  1.0 1.0
   33    37    44    45   1.25850 -1.0 2.0
   33    37    44    45  -0.23600  1.0 3.0
   33    37    44    49   0.65300  1.0 1.0
   33    37    44    49  -0.03850 -1.0 2.0
   33    37    44    49   0.33900  1.0 3.0
   33    37    44    62   0.60050  1.0 1.0
   33    37    44    62   0.05600 -1.0 2.0
   33    37    44    62   0.26150  1.0 3.0
   33    42    46    47   2.45000 -1.0 2.0
   33    42    46    48   2.45000 -1.0 2.0
   37    33    39    65   0.11950  1.0 1.0
   37    33    39    65   0.20300 -1.0 2.0
   37    33    39    65  -0.70800  1.0 3.0
   37    33    39    40  -0.09450  1.0 1.0
   37    33    39    40  -1.12950 -1.0 2.0
   37    33    39    40   0.54000  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    42    43   0.30150 -1.0 2.0
   37    33    42    46   0.00000  1.0 1.0
   37    44    49    50   0.09700  1.0 1.0
   37    44    49    50   0.15600 -1.0 2.0
   37    44    49    50  -0.50800  1.0 3.0
   37    44    49    51  -0.51250  1.0 1.0
   37    44    49    51  -0.88800 -1.0 2.0
   37    44    49    51   0.08850  1.0 3.0
   37    44    62    54  -0.95700  1.0 1.0
   37    44    62    54  -0.18200 -1.0 2.0
   37    44    62    54   0.29450  1.0 3.0
   37    44    62    63  -0.11250  1.0 3.0
   37    44   -62    65   0.11950  1.0 1.0
   37    44   -62    65   0.20300 -1.0 2.0
   37    44   -62    65  -0.70800  1.0 3.0
   38    37    44    45   0.30150 -1.0 2.0
   38    37    44    49   0.30150 -1.0 2.0
   38    37    44    62   0.30150 -1.0 2.0
   44    49    51    52   7.00000 -1.0 2.0
   44    49    51    67   7.00000 -1.0 2.0
   44    62    65    66   0.30150 -1.0 2.0
   44    62    65    39   0.60050  1.0 1.0
   44    62    65    39   0.05600 -1.0 2.0
   44    62    65    39   0.26150  1.0 3.0
   45    44    49    50   0.09700  1.0 1.0
   45    44    49    50   0.15600 -1.0 2.0
   45    44    49    50  -0.50800  1.0 3.0
   45    44    49    51   0.39000  1.0 1.0
   45    44    49    51  -0.05800 -1.0 2.0
   45    44    49    51  -0.55150  1.0 3.0
   45    44    62    54   0.62750  1.0 1.0
   45    44    62    54  -0.30950 -1.0 2.0
   45    44    62    54   0.27300  1.0 3.0
   45    44    62    63   0.23400  1.0 3.0
   45    44    62    65  -0.09450  1.0 1.0
   45    44    62    65  -1.12950 -1.0 2.0
   45    44    62    65   0.54000  1.0 3.0
   49    44    62    54   0.34400  1.0 1.0
   49    44    62    54   0.09450 -1.0 2.0
   49    44    62    54   0.11100  1.0 3.0
   49    44    62    63   0.15000  1.0 3.0
   49    44    62    65  -0.98800  1.0 1.0
   49    44    62    65   0.48800 -1.0 2.0
   49    44    62    65   0.76800  1.0 3.0
   49    51    52    53   0.28850  1.0 1.0
   49    51    52    53   2.61350 -1.0 2.0
   49    51    52    53   0.78400  1.0 3.0
   49    51   -52    54  -0.18600  1.0 3.0
   49    51    67    64  -1.65800  1.0 1.0
   49    51    67    64   0.77650 -1.0 2.0
   49    51    67    68   1.00000 -1.0 2.0
   50    49    51    52   7.00000 -1.0 2.0
   50    49    51    67   7.00000 -1.0 2.0
   51    52    53    57   7.00000 -1.0 2.0
   51    52    53    58   7.00000 -1.0 2.0
   51    52    54    55   0.00000  1.0 1.0
   51    52    54    56   0.00000  1.0 1.0
   51    52    54    62   0.98200  1.0 1.0
   51    52    54    62  -0.11900 -1.0 2.0
   51    52    54    62   0.24250  1.0 3.0
   52    51    67    64  -1.65800  1.0 1.0
   52    51    67    64   0.77650 -1.0 2.0
   52    51    67    68   1.00000 -1.0 2.0
   52    53   -57    64   0.15800  1.0 1.0
   52    53   -57    64   1.85350 -1.0 2.0
   52    53   -57    64  -0.48700  1.0 3.0
   52    53    57    76   0.15800  1.0 1.0
   52    53    57    76   1.85350 -1.0 2.0
   52    53    57    76  -0.48700  1.0 3.0
   52    53    58    59   0.00000  1.0 1.0
   52    53    58    60   0.00000  1.0 1.0
   52    53    58    61   0.00000  1.0 1.0
   52    54   -62    44   0.34400  1.0 1.0
   52    54   -62    44   0.09450 -1.0 2.0
   52    54   -62    44   0.11100  1.0 3.0
   52    54    62    63   0.15000  1.0 3.0
   52    54    62    65  -0.98800  1.0 1.0
   52    54    62    65   0.48800 -1.0 2.0
   52    54    62    65   0.76800  1.0 3.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    56   0.00000  1.0 1.0
   53    52    54    62   0.09850  1.0 1.0
   53    52    54    62   0.15250 -1.0 2.0
   53    52    54    62  -0.50650  1.0 3.0
   53    57    64    67   3.62500 -1.0 2.0
   53    57    64    69   3.62500 -1.0 2.0
   53    57    76    74   3.62500 -1.0 2.0
   53    57    76    77   3.62500 -1.0 2.0
   57    53    58    59   0.77000  1.0 3.0
   57    53    58    60   0.77000  1.0 3.0
   57    53    58    61   0.77000  1.0 3.0
   57    64   -67    51  -0.11500  1.0 1.0
   57    64   -67    51   1.10450 -1.0 2.0
   57    64   -67    51  -0.48050  1.0 3.0
   57    64    67    68   1.05000 -1.0 2.0
   57    64    69    70   3.62500 -1.0 2.0
   57    64    69    72   3.62500 -1.0 2.0
   64    57    76    74   3.62500 -1.0 2.0
   64    57    76    77   3.62500 -1.0 2.0
   64    69    70    71   3.62500 -1.0 2.0
   64    69   -70    74   3.62500 -1.0 2.0
   64    69    72    73   0.84100 -1.0 2.0
   67    51   -52    53  -0.18600  1.0 3.0
   67    51    52    54   1.08500 -1.0 2.0
   67    64    69    70   3.62500 -1.0 2.0
   67    64    69    72   3.62500 -1.0 2.0
   69    64    67    51  -0.11500  1.0 1.0
   69    64    67    51   1.10450 -1.0 2.0
   69    64    67    51  -0.48050  1.0 3.0
   69    64    67    68   1.05000 -1.0 2.0
   69    70    74    75   3.62500 -1.0 2.0
   69    70    74    76   3.62500 -1.0 2.0
   70    69    72    73   0.84100 -1.0 2.0
   70    74   -76    57   3.62500 -1.0 2.0
   70    74    76    77   3.62500 -1.0 2.0
   71    70    74    75   3.62500 -1.0 2.0
   71    70    74    76   3.62500 -1.0 2.0
   75    74    76    57   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   76    57    64    67   3.62500 -1.0 2.0
   76    57   -64    69   3.62500 -1.0 2.0
   72    69    70    71   3.62500 -1.0 2.0
   72    69    70    74   3.62500 -1.0 2.0
   58    53    57    64  -0.02500  1.0 1.0
   58    53    57    64  -0.32150 -1.0 2.0
   58    53    57    64  -0.01500  1.0 3.0
   58    53    57    76  -0.02500  1.0 1.0
   58    53    57    76  -0.32150 -1.0 2.0
   58    53    57    76  -0.01500  1.0 3.0
   54    52    53    57   7.00000 -1.0 2.0
   54    52    53    58   7.00000 -1.0 2.0
   54    62    65    66   0.30150 -1.0 2.0
   54    62    65    39   0.60050  1.0 1.0
   54    62    65    39   0.05600 -1.0 2.0
   54    62    65    39   0.26150  1.0 3.0
   55    54    62    44   0.15000  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    65  -0.11250  1.0 3.0
   56    54    62    44   0.15000  1.0 3.0
   56    54    62    63   0.15000  1.0 3.0
   56    54    62    65  -0.11250  1.0 3.0
   62    44    49    50   0.09700  1.0 1.0
   62    44    49    50   0.15600 -1.0 2.0
   62    44    49    50  -0.50800  1.0 3.0
   62    44   -49    51   0.09850  1.0 1.0
   62    44   -49    51   0.15250 -1.0 2.0
   62    44   -49    51  -0.50650  1.0 3.0
   62    65   -39    33   0.60050  1.0 1.0
   62    65   -39    33   0.05600 -1.0 2.0
   62    65   -39    33   0.26150  1.0 3.0
   62    65    39    40   0.55300  1.0 1.0
   62    65    39    40   1.25850 -1.0 2.0
   62    65    39    40  -0.23600  1.0 3.0
   62    65    39    41   0.00000  1.0 1.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    39   0.00000  1.0 1.0
   66    65    39    33   0.30150 -1.0 2.0
   66    65    39    40   0.30150 -1.0 2.0
   66    65    39    41   0.00000  1.0 1.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    44   0.60050  1.0 1.0
   39    33   -37    44   0.05600 -1.0 2.0
   39    33   -37    44   0.26150  1.0 3.0
   39    33    42    43   0.30150 -1.0 2.0
   39    33    42    46   1.39750  1.0 1.0
   39    33    42    46  -0.07950 -1.0 2.0
   39    33    42    46  -0.18750  1.0 3.0
   42    33    37    38   0.30150 -1.0 2.0
   42    33    37    44   0.65300  1.0 1.0
   42    33    37    44  -0.03850 -1.0 2.0
   42    33    37    44   0.33900  1.0 3.0
   42    33    39    65   0.11950  1.0 1.0
   42    33    39    65   0.20300 -1.0 2.0
   42    33    39    65  -0.70800  1.0 3.0
   42    33    39    40  -0.09450  1.0 1.0
   42    33    39    40  -1.12950 -1.0 2.0
   42    33    39    40   0.54000  1.0 3.0
   42    33    39    41  -0.11250  1.0 3.0
   43    42    46    47   2.45000 -1.0 2.0
   43    42    46    48   2.45000 -1.0 2.0
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    44    37    38  10.50000 -1.0 2.0
   44    50    49    51   1.10000 -1.0 2.0
   52    67    51    49   1.10000 -1.0 2.0
   51    54    52    53   1.10000 -1.0 2.0
   57    58    53    52   1.10000 -1.0 2.0
   64    76    57    53   4.00000 -1.0 2.0
   67    69    64    57   4.00000 -1.0 2.0
   51    64    67    68  10.50000 -1.0 2.0
   70    72    69    64   4.00000 -1.0 2.0
   74    71    70    69   1.10000 -1.0 2.0
   76    75    74    70   1.10000 -1.0 2.0
   74    77    76    57   4.00000 -1.0 2.0
   62    39    65    66  10.50000 -1.0 2.0
   33    46    42    43  10.50000 -1.0 2.0
   48    42    46    47   1.00000 -1.0 2.0
END
