* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    151    232     441
    1     0 S   NP   _N1_     1    29.13217    92.64933   -23.27968
    2     1 S   H    _HN1     2     1.03009    95.88949    23.66575
    3     1 S   H    _H1_     3     1.02812    15.22434   162.13227
    4     1 S   H    _H2_     4     1.02855   102.78684   -86.18791
    5     1 S   CT   _CA1     5     1.50197   125.51789   144.14219
    6     5 S   HC   _HA1     6     1.09564   105.33109    63.00777
    7     5 S   CO3  _C1_     7     1.53685   112.39864   -57.47173
    8     7 S   O2Z  _O11     8     1.26343   115.00128   -46.66241
    9     7 S   O2Z  _O12     9     1.26230   114.92167   132.61841
   10     5 S   CT   _CB1    10     1.52912   107.24765  -179.15791
   11    10 S   HC   HB11    11     1.09788   109.04378   -51.77342
   12    10 S   HC   HB12    12     1.09756   110.28761    64.79925
   13    10 S   CT   _CG1    13     1.52951   113.36895  -173.11795
   14    13 S   HC   HG11    14     1.09578   110.38047   -63.43999
   15    13 S   HC   HG12    15     1.09604   110.34009    56.08764
   16    13 S   C    _CD1    16     1.51787   111.41909   175.92210
   17    16 S   O    _OE1    17     1.22763   123.02956   -13.39614
   18    16 S   N    _N2_    18     1.38500   112.20485   167.52480
   19    18 S   H    _HN2    19     1.01579   119.23874     2.21063
   20    18 S   CT1  _CA2    20     1.46061   122.96724  -179.25323
   21    20 S   HC   _HA2    21     1.09634   109.36321    -2.28156
   22    20 S   C    _C2_    22     1.53459   108.86534  -117.66358
   23    22 S   O    _O2_    23     1.23045   122.09787  -146.07613
   24    20 S   CT   _CB2    32     1.53292   111.72827   119.70524
   25    24 S   HC   HB21    33     1.09656   109.69935    62.78483
   26    24 S   HC   HB22    34     1.09581   110.74288  -179.97202
   27    22 S   N    _N3_    24     1.38467   113.59338    41.41260
   28    27 S   H    _HN3    25     1.01490   119.03441    -0.42244
   29    24 S   S    _SG2    35     1.82888   115.01051   -57.27909
   30    27 S   CT   _CA3    26     1.45441   123.30357   174.95578
   31    30 S   HC   HA31    27     1.09533   109.08205    27.56620
   32    30 S   HC   HA32    28     1.09491   107.16299   144.55858
   33    29 S   CT   _C21    36     1.82800   100.24181   -62.00524
   34    33 S   HC   _H3_    37     1.09399   107.74225    78.18273
   35    33 S   HC   _H4_    38     1.09541   108.54825   -38.49924
   36    30 S   CO3  _C3_    29     1.52939   113.21653   -95.79098
   37    36 S   O2Z  _O31    30     1.26393   115.46111   -43.16440
   38    36 S   O2Z  _O32    31     1.26363   114.94589   137.77054
   39    33 S   CT   _C22    39     1.53521   114.18193  -160.07295
   40    39 S   HC   _H47    40     1.09906   107.57706   178.82497
   41    39 S   CO4  _C12    41     1.52061   111.83107   -64.08550
   42    41 S   O    _O22    42     1.22382   124.51540    92.44221
   43    39 S   CT   _C20    78     1.52935   113.64001    61.81904
   44    43 S   HC   _H42    79     1.09471   112.41525   -66.49414
   45    43 S   HC   _H43    80     1.09490   110.81524    54.82832
   46    43 S   HC   _H44    81     1.09594   110.32324   174.25376
   47    41 S   OS   _O25    43     1.36678   109.86800   -88.00868
   48    47 S   CT   _C18    44     1.44865   117.48272  -178.57839
   49    48 S   HC   _H38    45     1.09751   108.13069   -35.56155
   50    48 S   CT   _C13    46     1.56104   106.34996    82.48643
   51    50 S   HC   _H31    47     1.09786   109.02661    73.55782
   52    50 S   HC   _H32    48     1.09729   110.12760   -40.50322
   53    48 S   CT   _C17    62     1.56999   110.34187  -154.39319
   54    53 S   HC   _H37    63     1.09982   108.43151  -100.60766
   55    50 S   CM   _C6_    49     1.48460   114.05688  -162.40611
   56    53 S   CM   _C8_    64     1.50030   121.59992    21.25793
   57    55 S   CM   _C4_    50     1.33272   129.62821  -103.89297
   58    57 S   HC   _H27    51     1.08117   124.61111    -2.93018
   59    56 S   CO4  _C10    65     1.48129   109.22088   144.18067
   60    59 S   O    _O21    66     1.21798   127.33284   171.55938
   61    56 S   CM   _C11    68     1.33663   131.35454   -40.37280
   62    61 S   HC   _H29    69     1.08287   122.19149     0.48859
   63    61 S   HC   _H30    70     1.08603   121.62042  -178.12445
   64    57 S   CT   _C15    52     1.48553   110.40324   164.16549
   65    64 S   HC   _H35    53     1.09440   111.43831   131.82142
   66    80 S   OS   _O24    67     1.43332   108.23346   122.36460
   67    64 S   CT   _C14    54     1.55611   112.88899  -102.44365
   68    67 S   HC   _H33    55     1.09765   109.46974   -69.93590
   69    67 S   HC   _H34    56     1.09683   109.33418   173.50200
   70    64 S   OS   _O23    75     1.43515   103.07701    15.65110
   71    67 S   CM   _C7_    57     1.52906   112.39919    52.20744
   72    55 S   CO4  _C9_    76     1.47046   123.99847    72.39478
   73    72 S   O    _O20    77     1.21824   125.70128     7.71495
   74    71 S   CM   _C5_    58     1.34845   118.61958   -77.86818
   75    74 S   HC   _H28    59     1.09010   117.80321   -11.64452
   76    71 S   CT   _C19    71     1.50247   116.15232    95.20421
   77    76 S   HC   _H39    72     1.09257   111.43026   -66.49797
   78    76 S   HC   _H40    73     1.09237   112.57392   171.74845
   79    76 S   HC   _H41    74     1.09541   109.83688    53.44664
   80    74 S   CT   _C16    60     1.50019   127.22515   156.40417
   81    80 S   HC   _H36    61     1.09541   112.16595     4.59564
  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   7   5   4   3
  11   5   4   2   1   1   9   7  10   3   4   2   1   1  10  16
   8  13   5   4  14   7   8   9  10   5   8   3   4   1   1  10
   6   5  12   5   4   3   8   1   1   7   3   4   2   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    47    43    44    45    46  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    47    48    43    44    45    46  
   41    42    47    43    44    45    46  
   42    47    48    49    50    53    43    44    45    46  
   47    48    43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    52    55    80    53    54    56  
   49    50    51    52    55    57    74    80    81    53    54    56    59    66    61    72  
   50    51    52    55    80    53    54    56  
   51    52    55    57    58    64    80    53    54    56    70    72    73  
   52    55    57    53    72  
   55    57    53    72  
   54    56    59    60    66    61    62    63    55    71    74    75    80    81  
   56    59    66    61    74    80    81  
   57    58    64    65    67    70    72    73  
   59    60    66    61    62    63    74    80    81  
   58    64    65    67    68    69    71    70    72    73  
   64    65    67    70    72  
   60    66    61    62    63    74    80    81  
   66    61    80  
   62    63    66    80  
   63  
    0  
   65    67    68    69    71    74    76    70    72    73  
   67    68    69    71    70    72  
   71    74    75    80    81  
   68    69    71    74    75    80    76    77    78    79    70    72  
   69    71    74    76    70  
   71    74    76    70  
   72    73    71  
   74    75    80    81    76    77    78    79  
   73  
    0  
   75    80    81    76    77    78    79  
   80    81    76  
   77    78    79    80  
   78    79  
   79  
    0  
   81  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    43   268.000  1.529
   41    42   570.000  1.229
   41    47   214.000  1.327
   47    48   320.000  1.410
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   317.000  1.510
   55    57   549.000  1.340
   55    72   320.000  1.462
   57    58   340.000  1.080
   57    64   317.000  1.510
   64    65   340.000  1.090
   64    67   268.000  1.529
   64    70   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    71   317.000  1.510
   71    74   549.000  1.340
   71    76   317.000  1.510
   74    75   340.000  1.080
   74    80   317.000  1.510
   80    81   340.000  1.090
   80    53   268.000  1.529
   80    66   320.000  1.410
   53    54   340.000  1.090
   53    56   317.000  1.510
   56    59   320.000  1.462
   56    61   549.000  1.340
   59    60   570.000  1.229
   59    66   214.000  1.327
   61    62   340.000  1.080
   61    63   340.000  1.080
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   70    72   214.000  1.327
   72    73   570.000  1.229
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    47    81.00000  111.40000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    47    48    83.00000  116.90000
   47    41    42    83.00000  123.40000
   47    48    49    35.00000  109.50000
   47    48    50    50.00000  109.50000
   47    48    53    50.00000  109.50000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    55    70.00000  112.02700
   48    53    80    58.35000  112.70000
   48    53    54    37.50000  110.70000
   48    53    56    70.00000  112.02700
   50    48    49    37.50000  110.70000
   50    55    57    70.00000  124.00000
   50    55    72    65.00000  116.34900
   52    50    51    33.00000  107.80000
   55    50    51    35.00000  109.50000
   55    50    52    35.00000  109.50000
   55    57    58    35.00000  120.00000
   55    57    64    70.00000  124.00000
   55    72    70    90.00000  111.29400
   55    72    73    80.00000  123.72100
   57    64    65    35.00000  109.50000
   57    64    67    70.00000  112.02700
   57    64    70    85.00000  110.90400
   64    57    58    35.00000  117.00000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    71    70.00000  112.02700
   64    70    72    83.00000  116.90000
   67    64    65    37.50000  110.70000
   67    71    74    70.00000  124.00000
   67    71    76    65.00000  117.92700
   69    67    68    33.00000  107.80000
   71    67    68    35.00000  109.50000
   71    67    69    35.00000  109.50000
   71    74    75    35.00000  120.00000
   71    74    80    70.00000  124.00000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    79    35.00000  109.50000
   74    80    81    35.00000  109.50000
   74    80    53    70.00000  112.02700
   74    80    66    85.00000  110.90400
   80    74    75    35.00000  117.00000
   80    53    54    37.50000  110.70000
   80    53    56    70.00000  112.02700
   80    66    59    83.00000  116.90000
   53    48    49    37.50000  110.70000
   53    48    50    58.35000  112.70000
   53    80    81    37.50000  110.70000
   53    56    59    65.00000  116.34900
   53    56    61    70.00000  124.00000
   56    53    54    35.00000  109.50000
   56    59    60    80.00000  123.72100
   56    59    66    90.00000  111.29400
   56    61    62    35.00000  120.00000
   56    61    63    35.00000  120.00000
   66    80    81    35.00000  109.50000
   66    80    53    50.00000  109.50000
   66    59    60    83.00000  123.40000
   61    56    59    65.00000  118.96000
   63    61    62    35.00000  117.00000
   76    71    74    70.00000  124.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   70    64    65    35.00000  109.50000
   70    64    67    50.00000  109.50000
   70    72    73    83.00000  123.40000
   72    55    57    65.00000  118.96000
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    47   0.36750  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    46   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   39    41    47    48   1.63150  1.0 1.0
   39    41    47    48   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    47   0.00000  1.0 1.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    46   0.15000  1.0 3.0
   41    39    43    44  -0.11250  1.0 3.0
   41    39    43    45  -0.11250  1.0 3.0
   41    39    43    46  -0.11250  1.0 3.0
   41    47    48    49   0.08050  1.0 3.0
   41    47    48    50  -0.25900  1.0 1.0
   41    47    48    50  -0.47000 -1.0 2.0
   41    47    48    50   0.11750  1.0 3.0
   41    47    48    53  -0.25900  1.0 1.0
   41    47    48    53  -0.47000 -1.0 2.0
   41    47    48    53   0.11750  1.0 3.0
   42    41    47    48   3.00000 -1.0 2.0
   47    48    50    51   0.23400  1.0 3.0
   47    48    50    52   0.23400  1.0 3.0
   47    48    50    55   0.61850  1.0 1.0
   47    48    50    55  -0.22750 -1.0 2.0
   47    48    50    55   0.15300  1.0 3.0
   47    48    53    80   0.62750  1.0 1.0
   47    48    53    80  -0.30950 -1.0 2.0
   47    48    53    80   0.27300  1.0 3.0
   47    48    53    54   0.23400  1.0 3.0
   47    48    53    56   0.61850  1.0 1.0
   47    48    53    56  -0.22750 -1.0 2.0
   47    48    53    56   0.15300  1.0 3.0
   48    50    55    57   0.09850  1.0 1.0
   48    50    55    57   0.15250 -1.0 2.0
   48    50    55    57  -0.50650  1.0 3.0
   48    50    55    72   0.09700  1.0 1.0
   48    50    55    72   0.15600 -1.0 2.0
   48    50    55    72  -0.50800  1.0 3.0
   48    53    56    59   0.09700  1.0 1.0
   48    53    56    59   0.15600 -1.0 2.0
   48    53    56    59  -0.50800  1.0 3.0
   48    53    56    61   0.09850  1.0 1.0
   48    53    56    61   0.15250 -1.0 2.0
   48    53    56    61  -0.50650  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    55   0.15000  1.0 3.0
   49    48    53    80   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    56   0.15000  1.0 3.0
   50    48    53    80   0.56750  1.0 1.0
   50    48    53    80  -0.07550 -1.0 2.0
   50    48    53    80   0.20000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    56   0.34400  1.0 1.0
   50    48    53    56   0.09450 -1.0 2.0
   50    48    53    56   0.11100  1.0 3.0
   50    55    57    58   7.00000 -1.0 2.0
   50    55    57    64   7.00000 -1.0 2.0
   50    55    72    70  -0.15000  1.0 1.0
   50    55    72    70   0.89550 -1.0 2.0
   50    55    72    70  -0.06900  1.0 3.0
   50    55    72    73  -0.64400  1.0 1.0
   50    55    72    73   0.26850 -1.0 2.0
   51    50    55    57   0.00000  1.0 1.0
   51    50    55    72   0.15000  1.0 3.0
   52    50    55    57   0.00000  1.0 1.0
   52    50    55    72   0.15000  1.0 3.0
   55    57    64    65   0.00000  1.0 1.0
   55    57    64    67   0.09850  1.0 1.0
   55    57    64    67   0.15250 -1.0 2.0
   55    57    64    67  -0.50650  1.0 3.0
   55    57   -64    70   0.39000  1.0 1.0
   55    57   -64    70  -0.05800 -1.0 2.0
   55    57   -64    70  -0.55150  1.0 3.0
   57    55   -72    70  -0.56150  1.0 1.0
   57    55   -72    70   2.19150 -1.0 2.0
   57    55    72    73   1.00000 -1.0 2.0
   57    64    67    68   0.15000  1.0 3.0
   57    64    67    69   0.15000  1.0 3.0
   57    64    67    71   0.31000  1.0 1.0
   57    64    67    71   0.14700 -1.0 2.0
   57    64    67    71   0.07550  1.0 3.0
   57    64   -70    72  -0.82050  1.0 1.0
   57    64   -70    72   0.00600 -1.0 2.0
   57    64   -70    72   0.04400  1.0 3.0
   58    57    64    65   0.33100  1.0 3.0
   58    57    64    67   0.00000  1.0 1.0
   58    57    64    70   0.00000  1.0 1.0
   64    67    71    74   0.09850  1.0 1.0
   64    67    71    74   0.15250 -1.0 2.0
   64    67    71    74  -0.50650  1.0 3.0
   64    67    71    76   0.46850  1.0 1.0
   64    67    71    76   0.08550 -1.0 2.0
   64    67    71    76   0.09800  1.0 3.0
   64    70   -72    55   2.00000 -1.0 2.0
   64    70    72    73   3.00000 -1.0 2.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    71   0.15000  1.0 3.0
   65    64    70    72   0.08050  1.0 3.0
   67    64    70    72  -0.25900  1.0 1.0
   67    64    70    72  -0.47000 -1.0 2.0
   67    64    70    72   0.11750  1.0 3.0
   67    71    74    75   7.00000 -1.0 2.0
   67    71    74    80   7.00000 -1.0 2.0
   67    71    76    77   0.34800  1.0 3.0
   67    71    76    78   0.34800  1.0 3.0
   67    71    76    79   0.34800  1.0 3.0
   68    67    71    74   0.00000  1.0 1.0
   68    67    71    76   0.34800  1.0 3.0
   69    67    71    74   0.00000  1.0 1.0
   69    67    71    76   0.34800  1.0 3.0
   71    74    80    81   0.00000  1.0 1.0
   71    74    80    53   0.09850  1.0 1.0
   71    74    80    53   0.15250 -1.0 2.0
   71    74    80    53  -0.50650  1.0 3.0
   71    74    80    66   0.39000  1.0 1.0
   71    74    80    66  -0.05800 -1.0 2.0
   71    74    80    66  -0.55150  1.0 3.0
   74    71    76    77   0.00000  1.0 1.0
   74    71    76    78   0.00000  1.0 1.0
   74    71    76    79   0.00000  1.0 1.0
   74    80    53    48   0.34400  1.0 1.0
   74    80    53    48   0.09450 -1.0 2.0
   74    80    53    48   0.11100  1.0 3.0
   74    80    53    54   0.15000  1.0 3.0
   74    80    53    56   0.31000  1.0 1.0
   74    80    53    56   0.14700 -1.0 2.0
   74    80    53    56   0.07550  1.0 3.0
   74    80    66    59  -0.82050  1.0 1.0
   74    80    66    59   0.00600 -1.0 2.0
   74    80    66    59   0.04400  1.0 3.0
   75    74    80    81   0.33100  1.0 3.0
   75    74    80    53   0.00000  1.0 1.0
   75    74    80    66   0.00000  1.0 1.0
   80    53   -56    59   0.09700  1.0 1.0
   80    53   -56    59   0.15600 -1.0 2.0
   80    53   -56    59  -0.50800  1.0 3.0
   80    53    56    61   0.09850  1.0 1.0
   80    53    56    61   0.15250 -1.0 2.0
   80    53    56    61  -0.50650  1.0 3.0
   81    80    53    48   0.15000  1.0 3.0
   81    80    53    54   0.15000  1.0 3.0
   81    80    53    56   0.15000  1.0 3.0
   81    80    66    59   0.08050  1.0 3.0
   53    48    50    51   0.15000  1.0 3.0
   53    48    50    52   0.15000  1.0 3.0
   53    48    50    55   0.34400  1.0 1.0
   53    48    50    55   0.09450 -1.0 2.0
   53    48    50    55   0.11100  1.0 3.0
   53    80   -66    59  -0.25900  1.0 1.0
   53    80   -66    59  -0.47000 -1.0 2.0
   53    80   -66    59   0.11750  1.0 3.0
   53    56    59    60  -0.64400  1.0 1.0
   53    56    59    60   0.26850 -1.0 2.0
   53    56   -59    66  -0.15000  1.0 1.0
   53    56   -59    66   0.89550 -1.0 2.0
   53    56   -59    66  -0.06900  1.0 3.0
   53    56    61    62   7.00000 -1.0 2.0
   53    56    61    63   7.00000 -1.0 2.0
   54    53    56    59   0.15000  1.0 3.0
   54    53    56    61   0.00000  1.0 1.0
   56    59   -66    80   2.00000 -1.0 2.0
   59    56    61    62   7.00000 -1.0 2.0
   59    56    61    63   7.00000 -1.0 2.0
   60    59    66    80   3.00000 -1.0 2.0
   66    80    53    48   0.62750  1.0 1.0
   66    80    53    48  -0.30950 -1.0 2.0
   66    80    53    48   0.27300  1.0 3.0
   66    80    53    54   0.23400  1.0 3.0
   66    80   -53    56   0.61850  1.0 1.0
   66    80   -53    56  -0.22750 -1.0 2.0
   66    80   -53    56   0.15300  1.0 3.0
   61    56    59    60   1.00000 -1.0 2.0
   61    56    59    66  -0.56150  1.0 1.0
   61    56    59    66   2.19150 -1.0 2.0
   76    71    74    75   7.00000 -1.0 2.0
   76    71    74    80   7.00000 -1.0 2.0
   70    64    67    68   0.23400  1.0 3.0
   70    64    67    69   0.23400  1.0 3.0
   70    64    67    71   0.61850  1.0 1.0
   70    64    67    71  -0.22750 -1.0 2.0
   70    64    67    71   0.15300  1.0 3.0
   72    55    57    58   7.00000 -1.0 2.0
   72    55   -57    64   7.00000 -1.0 2.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    47   0.36750  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
   38    30    36    37  10.50000 -1.0 2.0
   39    47    41    42  10.50000 -1.0 2.0
   50    72    55    57   1.10000 -1.0 2.0
   64    58    57    55   1.10000 -1.0 2.0
   67    76    71    74   1.10000 -1.0 2.0
   80    75    74    71   1.10000 -1.0 2.0
   53    59    56    61   1.10000 -1.0 2.0
   56    66    59    60  10.50000 -1.0 2.0
   62    63    61    56   1.10000 -1.0 2.0
   55    70    72    73  10.50000 -1.0 2.0
END
