* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    157    233     457
    1     0 S   NP   _N1_     1    28.41853    97.24683   -21.63801
    2     1 S   H    _HN1     2     1.02957    74.31101   -19.16266
    3     1 S   H    _H1_     3     1.02835    37.34526   131.30803
    4     1 S   H    _H2_     4     1.02776   102.15877  -125.05395
    5     1 S   CT   _CA1     5     1.50126   140.66894    84.02408
    6     5 S   HC   _HA1     6     1.09574   105.21905    87.63368
    7     5 S   CO3  _C1_     7     1.53789   112.37435   -32.56698
    8     7 S   O2Z  _O11     8     1.26365   114.99764   -43.70129
    9     7 S   O2Z  _O12     9     1.26236   114.93331   135.42661
   10     5 S   CT   _CB1    10     1.53099   107.42537  -154.44603
   11    10 S   HC   HB11    11     1.09826   109.34409   -50.48345
   12    10 S   HC   HB12    12     1.09816   110.42037    66.07681
   13    10 S   CT   _CG1    13     1.53014   112.66498  -171.55575
   14    13 S   HC   HG11    14     1.09594   110.48539   -64.20810
   15    13 S   HC   HG12    15     1.09657   109.92286    54.98904
   16    13 S   C    _CD1    16     1.51840   112.33341   175.36840
   17    16 S   O    _OE1    17     1.22746   123.29283     0.06561
   18    16 S   N    _N2_    18     1.38553   111.68620  -179.98022
   19    18 S   H    _HN2    19     1.01560   119.02378     4.65854
   20    18 S   CT1  _CA2    20     1.45857   122.93208   177.91982
   21    20 S   HC   _HA2    21     1.09703   109.01175    23.07825
   22    20 S   C    _C2_    22     1.52867   106.68083   -94.27203
   23    22 S   O    _O2_    23     1.23008   122.88430   -30.77444
   24    20 S   CT   _CB2    32     1.53082   112.17780   146.32988
   25    24 S   HC   HB21    33     1.09577   109.96556    54.69527
   26    24 S   HC   HB22    34     1.09470   109.99926   173.70368
   27    22 S   N    _N3_    24     1.38447   112.72924   151.93077
   28    27 S   H    _HN3    25     1.01655   120.40286    -0.83439
   29    24 S   S    _SG2    35     1.82639   111.29465   -65.83468
   30    27 S   CT   _CA3    26     1.45364   122.40968   178.92480
   31    30 S   HC   HA31    27     1.09549   107.53446   -63.72618
   32    30 S   HC   HA32    28     1.09575   107.89443    52.57399
   33    29 S   CT   _C23    36     1.83679    99.50462   170.47769
   34    33 S   HC   _H3_    37     1.09400   106.14325   -49.88703
   35    30 S   CO3  _C3_    29     1.52881   114.41967   174.65654
   36    35 S   O2Z  _O31    30     1.26324   116.10016     2.36728
   37    35 S   O2Z  _O32    31     1.26457   114.39141  -177.56056
   38    33 S   CM   _C11    38     1.53192   111.17893    71.78805
   39    33 S   CT   _C22    83     1.53104   108.90874  -163.06194
   40    39 S   HC   _H48    84     1.09573   112.69528   -57.88315
   41    39 S   HC   _H49    85     1.09608   110.51572  -178.54572
   42    39 S   HC   _H50    86     1.09636   110.85733    62.80499
   43    38 S   CMA  _C12    39     1.36818   123.00028  -109.27182
   44    43 S   OM   _O21    40     1.26891   125.48402   179.93439
   45    38 S   CT   _C21    79     1.52134   115.23681    72.01905
   46    45 S   HC   _H45    80     1.09424   110.98548   -51.87275
   47    45 S   HC   _H46    81     1.09424   113.48529  -171.49622
   48    45 S   HC   _H47    82     1.09469   110.28083    68.44354
   49    43 S   OS   _O25    41     1.41620   112.07841     2.90697
   50    49 S   CT   _C18    42     1.44641   115.62640  -131.68665
   51    50 S   HC   _H38    43     1.09738   111.88627   -22.29540
   52    50 S   CT   _C14    44     1.55435   105.18864    96.84712
   53    52 S   HC   _H33    45     1.09941   108.60374    54.90225
   54    52 S   HC   _H34    46     1.09822   109.48930   -57.89428
   55    50 S   CT   _C17    60     1.56150   107.95002  -142.13268
   56    55 S   HC   _H37    61     1.09799   108.51793   -73.64866
   57    52 S   CM   _C6_    47     1.50937   115.02782   178.98201
   58    55 S   CM   _C8_    62     1.49666   113.69324    48.53778
   59    57 S   CM   _C4_    48     1.34665   119.05488   -94.77365
   60    59 S   HC   _H27    49     1.08997   118.06287    -4.18058
   61    58 S   CO4  _C9_    63     1.47116   110.14792   102.35472
   62    61 S   O    _O22    64     1.21750   127.19165  -170.19871
   63    58 S   CM   _C10    66     1.33641   128.38781   -82.50024
   64    63 S   HC   _H29    67     1.08427   120.76588     2.41606
   65    63 S   HC   _H30    68     1.08500   121.89382  -177.68725
   66    57 S   CT   _C19    75     1.50239   115.45097    81.30495
   67    66 S   HC   _H39    76     1.09442   110.60300   -59.97205
   68    66 S   HC   _H40    77     1.09225   113.22010   179.12912
   69    66 S   HC   _H41    78     1.09518   109.91865    59.50186
   70    59 S   CT   _C13    50     1.50211   127.46788   167.41743
   71    70 S   HC   _H31    51     1.09534   110.49904    39.81574
   72    70 S   HC   _H32    52     1.09748   107.53896   155.28385
   73    85 S   OS   _O23    65     1.44505   108.36440   124.42208
   74    70 S   CT   _C16    53     1.54658   112.96257   -84.22128
   75    74 S   HC   _H36    54     1.09767   107.24981  -169.25796
   76    74 S   CM   _C7_    55     1.52431   115.29753   -48.95612
   77    74 S   OH   _O24    73     1.42667   110.74350    77.39488
   78    77 S   HO   _H52    74     0.97199   107.65371    55.83436
   79    76 S   CM   _C5_    56     1.35213   127.14856    84.87571
   80    79 S   HC   _H28    57     1.09028   117.42666   179.12464
   81    76 S   CT   _C20    69     1.50977   113.69890   -95.12884
   82    81 S   HC   _H42    70     1.09499   110.26170   -61.78852
   83    81 S   HC   _H43    71     1.09511   112.58980   178.07024
   84    81 S   HC   _H44    72     1.09502   110.17681    58.08872
   85    79 S   CT   _C15    58     1.51208   128.80452    -3.20955
   86    85 S   HC   _H35    59     1.08706   111.67010     9.42214
  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   9   5   4   3
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
  10  16   8  14   5   4  14   7  10   9  12   5   8   3   4   1
   1   4   2   1   1   9   5   4   5  11   5  10   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    55    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    54    57    85    55    56    58  
   51    52    53    54    57    59    79    85    86    55    56    58    61    73    63    66  
   52    53    54    57    85    55    56    58  
   53    54    57    59    60    70    85    55    56    58    66    67    68    69  
   54    57    59    55    66  
   57    59    55    66  
   56    58    61    62    73    63    64    65    57    76    79    80    85    86  
   58    61    73    63    79    85    86  
   59    60    70    71    72    74    66    67    68    69  
   61    62    73    63    64    65    79    85    86  
   60    70    71    72    74    75    76    77    66    67    68    69  
   70    71    72    74    66  
   62    73    63    64    65    79    85    86  
   73    63    85  
   64    65    73    85  
   65  
    0  
   67    68    69    70  
   68    69  
   69  
    0  
   71    72    74    75    76    79    81    77    78  
   72    74    75    76    77  
   74    75    76    77  
   76    79    80    85    86  
   75    76    79    80    85    81    82    83    84    77    78  
   76    79    81    77    78  
   79    80    85    86    81    82    83    84    77    78  
   78    79    81  
    0  
   80    85    86    81    82    83    84  
   85    86    81  
   82    83    84    85  
   83    84  
   84  
    0  
   86  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   86   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    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   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    55   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   317.000  1.510
   57    59   549.000  1.340
   57    66   317.000  1.510
   59    60   340.000  1.080
   59    70   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    74   268.000  1.529
   74    75   340.000  1.090
   74    76   317.000  1.510
   74    77   320.000  1.410
   76    79   549.000  1.340
   76    81   317.000  1.510
   79    80   340.000  1.080
   79    85   317.000  1.510
   85    86   340.000  1.090
   85    55   268.000  1.529
   85    73   320.000  1.410
   55    56   340.000  1.090
   55    58   317.000  1.510
   58    61   320.000  1.462
   58    63   549.000  1.340
   61    62   570.000  1.229
   61    73   214.000  1.327
   63    64   340.000  1.080
   63    65   340.000  1.080
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   77    78   553.000  0.945
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    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  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    55    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    57    70.00000  112.02700
   50    55    85    58.35000  112.70000
   50    55    56    37.50000  110.70000
   50    55    58    70.00000  112.02700
   52    50    51    37.50000  110.70000
   52    57    59    70.00000  124.00000
   52    57    66    65.00000  117.92700
   54    52    53    33.00000  107.80000
   57    52    53    35.00000  109.50000
   57    52    54    35.00000  109.50000
   57    59    60    35.00000  120.00000
   57    59    70    70.00000  124.00000
   57    66    67    35.00000  109.50000
   57    66    68    35.00000  109.50000
   57    66    69    35.00000  109.50000
   59    70    71    35.00000  109.50000
   59    70    72    35.00000  109.50000
   59    70    74    70.00000  112.02700
   70    59    60    35.00000  117.00000
   70    74    75    37.50000  110.70000
   70    74    76    70.00000  112.02700
   70    74    77    50.00000  109.50000
   72    70    71    33.00000  107.80000
   74    70    71    37.50000  110.70000
   74    70    72    37.50000  110.70000
   74    76    79    70.00000  124.00000
   74    76    81    65.00000  117.92700
   74    77    78    55.00000  108.50000
   76    74    75    35.00000  109.50000
   76    79    80    35.00000  120.00000
   76    79    85    70.00000  124.00000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   79    85    86    35.00000  109.50000
   79    85    55    70.00000  112.02700
   79    85    73    85.00000  110.90400
   85    79    80    35.00000  117.00000
   85    55    56    37.50000  110.70000
   85    55    58    70.00000  112.02700
   85    73    61    83.00000  116.90000
   55    50    51    37.50000  110.70000
   55    50    52    58.35000  112.70000
   55    85    86    37.50000  110.70000
   55    58    61    65.00000  116.34900
   55    58    63    70.00000  124.00000
   58    55    56    35.00000  109.50000
   58    61    62    80.00000  123.72100
   58    61    73    90.00000  111.29400
   58    63    64    35.00000  120.00000
   58    63    65    35.00000  120.00000
   73    85    86    35.00000  109.50000
   73    85    55    50.00000  109.50000
   73    61    62    83.00000  123.40000
   63    58    61    65.00000  118.96000
   65    63    64    35.00000  117.00000
   81    76    79    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   77    74    75    35.00000  109.50000
   77    74    76    90.00000  110.39200
   66    57    59    70.00000  124.00000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51   0.08050  1.0 3.0
   43    49    50    52  -0.46850  1.0 1.0
   43    49    50    52   0.09300 -1.0 2.0
   43    49    50    52  -0.12850  1.0 3.0
   43    49    50    55  -0.46850  1.0 1.0
   43    49    50    55   0.09300 -1.0 2.0
   43    49    50    55  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    54   0.23400  1.0 3.0
   49    50    52    57   0.61850  1.0 1.0
   49    50    52    57  -0.22750 -1.0 2.0
   49    50    52    57   0.15300  1.0 3.0
   49    50    55    85   0.62750  1.0 1.0
   49    50    55    85  -0.30950 -1.0 2.0
   49    50    55    85   0.27300  1.0 3.0
   49    50    55    56   0.23400  1.0 3.0
   49    50    55    58   0.61850  1.0 1.0
   49    50    55    58  -0.22750 -1.0 2.0
   49    50    55    58   0.15300  1.0 3.0
   50    52    57    59   0.09850  1.0 1.0
   50    52    57    59   0.15250 -1.0 2.0
   50    52    57    59  -0.50650  1.0 3.0
   50    52    57    66   0.46850  1.0 1.0
   50    52    57    66   0.08550 -1.0 2.0
   50    52    57    66   0.09800  1.0 3.0
   50    55    58    61   0.09700  1.0 1.0
   50    55    58    61   0.15600 -1.0 2.0
   50    55    58    61  -0.50800  1.0 3.0
   50    55    58    63   0.09850  1.0 1.0
   50    55    58    63   0.15250 -1.0 2.0
   50    55    58    63  -0.50650  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    57   0.15000  1.0 3.0
   51    50    55    85   0.15000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    58   0.15000  1.0 3.0
   52    50    55    85   0.56750  1.0 1.0
   52    50    55    85  -0.07550 -1.0 2.0
   52    50    55    85   0.20000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    58   0.34400  1.0 1.0
   52    50    55    58   0.09450 -1.0 2.0
   52    50    55    58   0.11100  1.0 3.0
   52    57    59    60   7.00000 -1.0 2.0
   52    57    59    70   7.00000 -1.0 2.0
   52    57    66    67   0.34800  1.0 3.0
   52    57    66    68   0.34800  1.0 3.0
   52    57    66    69   0.34800  1.0 3.0
   53    52    57    59   0.00000  1.0 1.0
   53    52    57    66   0.34800  1.0 3.0
   54    52    57    59   0.00000  1.0 1.0
   54    52    57    66   0.34800  1.0 3.0
   57    59    70    71   0.00000  1.0 1.0
   57    59    70    72   0.00000  1.0 1.0
   57    59    70    74   0.09850  1.0 1.0
   57    59    70    74   0.15250 -1.0 2.0
   57    59    70    74  -0.50650  1.0 3.0
   59    57    66    67   0.00000  1.0 1.0
   59    57    66    68   0.00000  1.0 1.0
   59    57    66    69   0.00000  1.0 1.0
   59    70    74    75   0.15000  1.0 3.0
   59    70    74    76   0.31000  1.0 1.0
   59    70    74    76   0.14700 -1.0 2.0
   59    70    74    76   0.07550  1.0 3.0
   59    70    74    77   1.05650  1.0 1.0
   59    70    74    77   0.15600 -1.0 2.0
   59    70    74    77   0.53150  1.0 3.0
   60    59    70    71   0.33100  1.0 3.0
   60    59    70    72   0.33100  1.0 3.0
   60    59    70    74   0.00000  1.0 1.0
   70    74    76    79   0.09850  1.0 1.0
   70    74    76    79   0.15250 -1.0 2.0
   70    74    76    79  -0.50650  1.0 3.0
   70    74    76    81   0.46850  1.0 1.0
   70    74    76    81   0.08550 -1.0 2.0
   70    74    76    81   0.09800  1.0 3.0
   70    74    77    78  -0.11600  1.0 1.0
   70    74    77    78  -0.09450 -1.0 2.0
   70    74    77    78   0.21250  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    76   0.15000  1.0 3.0
   71    70    74    77   0.23400  1.0 3.0
   72    70    74    75   0.15000  1.0 3.0
   72    70    74    76   0.15000  1.0 3.0
   72    70    74    77   0.23400  1.0 3.0
   74    76    79    80   7.00000 -1.0 2.0
   74    76    79    85   7.00000 -1.0 2.0
   74    76    81    82   0.34800  1.0 3.0
   74    76    81    83   0.34800  1.0 3.0
   74    76    81    84   0.34800  1.0 3.0
   75    74    76    79   0.00000  1.0 1.0
   75    74    76    81   0.34800  1.0 3.0
   75    74    77    78   0.19450  1.0 3.0
   76    74    77    78  -0.07800  1.0 1.0
   76    74    77    78  -0.21500 -1.0 2.0
   76    74    77    78  -0.03150  1.0 3.0
   76    79    85    86   0.00000  1.0 1.0
   76    79    85    55   0.09850  1.0 1.0
   76    79    85    55   0.15250 -1.0 2.0
   76    79    85    55  -0.50650  1.0 3.0
   76    79    85    73   0.39000  1.0 1.0
   76    79    85    73  -0.05800 -1.0 2.0
   76    79    85    73  -0.55150  1.0 3.0
   79    76    81    82   0.00000  1.0 1.0
   79    76    81    83   0.00000  1.0 1.0
   79    76    81    84   0.00000  1.0 1.0
   79    85    55    50   0.34400  1.0 1.0
   79    85    55    50   0.09450 -1.0 2.0
   79    85    55    50   0.11100  1.0 3.0
   79    85    55    56   0.15000  1.0 3.0
   79    85    55    58   0.31000  1.0 1.0
   79    85    55    58   0.14700 -1.0 2.0
   79    85    55    58   0.07550  1.0 3.0
   79    85    73    61  -0.82050  1.0 1.0
   79    85    73    61   0.00600 -1.0 2.0
   79    85    73    61   0.04400  1.0 3.0
   80    79    85    86   0.33100  1.0 3.0
   80    79    85    55   0.00000  1.0 1.0
   80    79    85    73   0.00000  1.0 1.0
   85    55   -58    61   0.09700  1.0 1.0
   85    55   -58    61   0.15600 -1.0 2.0
   85    55   -58    61  -0.50800  1.0 3.0
   85    55    58    63   0.09850  1.0 1.0
   85    55    58    63   0.15250 -1.0 2.0
   85    55    58    63  -0.50650  1.0 3.0
   86    85    55    50   0.15000  1.0 3.0
   86    85    55    56   0.15000  1.0 3.0
   86    85    55    58   0.15000  1.0 3.0
   86    85    73    61   0.08050  1.0 3.0
   55    50    52    53   0.15000  1.0 3.0
   55    50    52    54   0.15000  1.0 3.0
   55    50    52    57   0.34400  1.0 1.0
   55    50    52    57   0.09450 -1.0 2.0
   55    50    52    57   0.11100  1.0 3.0
   55    85   -73    61  -0.25900  1.0 1.0
   55    85   -73    61  -0.47000 -1.0 2.0
   55    85   -73    61   0.11750  1.0 3.0
   55    58    61    62  -0.64400  1.0 1.0
   55    58    61    62   0.26850 -1.0 2.0
   55    58   -61    73  -0.15000  1.0 1.0
   55    58   -61    73   0.89550 -1.0 2.0
   55    58   -61    73  -0.06900  1.0 3.0
   55    58    63    64   7.00000 -1.0 2.0
   55    58    63    65   7.00000 -1.0 2.0
   56    55    58    61   0.15000  1.0 3.0
   56    55    58    63   0.00000  1.0 1.0
   58    61   -73    85   2.00000 -1.0 2.0
   61    58    63    64   7.00000 -1.0 2.0
   61    58    63    65   7.00000 -1.0 2.0
   62    61    73    85   3.00000 -1.0 2.0
   73    85    55    50   0.62750  1.0 1.0
   73    85    55    50  -0.30950 -1.0 2.0
   73    85    55    50   0.27300  1.0 3.0
   73    85    55    56   0.23400  1.0 3.0
   73    85   -55    58   0.61850  1.0 1.0
   73    85   -55    58  -0.22750 -1.0 2.0
   73    85   -55    58   0.15300  1.0 3.0
   63    58    61    62   1.00000 -1.0 2.0
   63    58    61    73  -0.56150  1.0 1.0
   63    58    61    73   2.19150 -1.0 2.0
   81    76    79    80   7.00000 -1.0 2.0
   81    76    79    85   7.00000 -1.0 2.0
   77    74    76    79   0.67800  1.0 1.0
   77    74    76    79   0.47050 -1.0 2.0
   77    74    76    79  -0.62500  1.0 3.0
   77    74    76    81   0.18000  1.0 1.0
   77    74    76    81   0.16450 -1.0 2.0
   77    74    76    81   0.04450  1.0 3.0
   66    57    59    60   7.00000 -1.0 2.0
   66    57    59    70   7.00000 -1.0 2.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  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
   33    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   52    66    57    59   1.10000 -1.0 2.0
   70    60    59    57   1.10000 -1.0 2.0
   74    81    76    79   1.10000 -1.0 2.0
   85    80    79    76   1.10000 -1.0 2.0
   55    61    58    63   1.10000 -1.0 2.0
   58    73    61    62  10.50000 -1.0 2.0
   64    65    63    58   1.10000 -1.0 2.0
END
