* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    148    224     431
    1     0 S   NP   _N1_     1    28.72905    95.26672   -25.14704
    2     1 S   H    _HN1     2     1.02950    76.62860     9.47642
    3     1 S   H    _H1_     3     1.02829    30.63006  -176.50005
    4     1 S   H    _H2_     4     1.02791   115.65624   -94.70299
    5     1 S   CT   _CA1     5     1.50113   126.04501   115.17530
    6     5 S   HC   _HA1     6     1.09575   105.19251    89.69406
    7     5 S   CO3  _C1_     7     1.53781   112.42572   -30.54226
    8     7 S   O2Z  _O11     8     1.26373   115.01403   -43.68742
    9     7 S   O2Z  _O12     9     1.26237   114.93905   135.39635
   10     5 S   CT   _CB1    10     1.53072   107.41304  -152.34970
   11    10 S   HC   HB11    11     1.09836   109.35649   -49.77556
   12    10 S   HC   HB12    12     1.09813   110.46459    66.82198
   13    10 S   CT   _CG1    13     1.53003   112.61483  -170.73813
   14    13 S   HC   HG11    14     1.09579   110.66404   -66.00636
   15    13 S   HC   HG12    15     1.09671   109.76128    53.23268
   16    13 S   C    _CD1    16     1.51808   112.13568   173.68571
   17    16 S   O    _OE1    17     1.22745   123.24446     8.45294
   18    16 S   N    _N2_    18     1.38634   111.73293  -171.57820
   19    18 S   H    _HN2    19     1.01592   119.01285     1.42601
   20    18 S   CT1  _CA2    20     1.46187   123.40389   177.25648
   21    20 S   HC   _HA2    21     1.09726   109.34453     5.86912
   22    20 S   C    _C2_    22     1.53707   108.99538  -109.84272
   23    22 S   O    _O2_    23     1.23097   122.22850  -149.99695
   24    20 S   CT   _CB2    32     1.53347   111.54290   127.93631
   25    24 S   HC   HB21    33     1.09355   109.31828    56.66119
   26    24 S   HC   HB22    34     1.09338   109.52987   175.43065
   27    22 S   N    _N3_    24     1.38294   113.87441    37.50187
   28    27 S   H    _HN3    25     1.01556   119.60107    -3.43051
   29    24 S   S    _SG2    35     1.82969   111.71042   -64.43004
   30    27 S   CT   _CA3    26     1.45276   123.22045   177.24537
   31    30 S   HC   HA31    27     1.09548   107.52884   -64.34333
   32    30 S   HC   HA32    28     1.09559   107.97271    52.09784
   33    29 S   CT   _C21    36     1.86321   101.30585   175.81577
   34    30 S   CO3  _C3_    29     1.52964   114.05831   174.09080
   35    34 S   O2Z  _O31    30     1.26380   116.07675    -0.36530
   36    34 S   O2Z  _O32    31     1.26426   114.41696   179.68472
   37    33 S   CM   _C20    37     1.52344   108.15823   -63.93732
   38    37 S   HC   _H15    38     1.09587   111.89240   -59.86039
   39    33 S   CT   _C22    77     1.53389   108.91452    65.97358
   40    39 S   HC   _H16    78     1.09715   111.49203    56.46223
   41    39 S   HC   _H17    79     1.09653   110.81494   174.91261
   42    39 S   HC   _H18    80     1.09321   112.95352   -64.19538
   43    33 S   CT   _C23    81     1.54317   105.90999  -178.77619
   44    43 S   HC   _H19    82     1.09703   111.85486   -61.28850
   45    43 S   HC   _H20    83     1.09739   112.37107    59.90370
   46    43 S   HC   _H21    84     1.09733   110.66922   179.44468
   47    37 S   CMA  _C19    39     1.35826   133.06120   120.61925
   48    47 S   OM   _O38    40     1.26863   122.69811   178.63112
   49    47 S   OS   _O37    41     1.41083   113.24462    -0.30132
   50    49 S   CT   _C8_    42     1.44779   117.08220  -147.30570
   51    50 S   HC   _H3_    43     1.09626   109.46953   -40.61454
   52    50 S   CM   _C9_    44     1.52520   108.62756  -158.50443
   53    50 S   CT   _C7_    63     1.54489   108.81983    80.14173
   54    53 S   HC   _H8_    64     1.09505   109.83083    55.28267
   55    53 S   HC   _H9_    65     1.09715   109.17225   -58.21289
   56    52 S   CM   _C10    45     1.33804   123.44458   -34.29227
   57    56 S   HC   _H10    46     1.08401   121.21044    -0.43790
   58    53 S   CM   _C6_    66     1.50347   113.90125  -177.68151
   59    58 S   HC   _H7_    67     1.08964   113.93495    70.21750
   60    56 S   CO4  _C11    47     1.47215   123.40688  -179.39026
   61    60 S   O    _O33    48     1.22559   119.93371  -178.43903
   62    58 S   CM   _C5_    68     1.34658   127.87971  -109.99981
   63    60 S   CA   _C12    49     1.47633   118.26495     2.12854
   64    62 S   CT   _C4_    69     1.50545   120.36048  -179.71264
   65    64 S   HC   _H4_    70     1.09493   110.23519   120.87254
   66    64 S   HC   _H5_    71     1.09511   112.42344     0.76999
   67    64 S   HC   _H6_    72     1.09502   110.23027  -119.29409
   68    62 S   CT   _C24    73     1.50257   125.28993     1.04193
   69    68 S   HC   _H22    74     1.09539   109.98624   123.15975
   70    68 S   HC   _H23    75     1.09168   113.72292     3.24438
   71    68 S   HC   _H24    76     1.09495   110.05333  -117.55859
   72    63 S   CA   _C17    50     1.40129   119.69496    -2.56323
   73    72 S   CA   _C16    51     1.40697   119.04257   179.70326
   74    52 S   CO4  _C18    61     1.49127   117.29585   145.03644
   75    74 S   O    _O34    62     1.22683   121.02820    -3.25798
   76    73 S   CA   _C15    52     1.39499   120.91427     0.06853
   77    76 S   HA   _H12    53     1.08685   120.40954  -179.96044
   78    73 S   OH   _O35    59     1.36990   123.63459  -179.76510
   79    78 S   HO   _H13    60     0.97391   108.96248    -0.84326
   80    76 S   CA   _C14    54     1.38988   119.89704     0.05234
   81    80 S   HA   _H11    55     1.08676   119.73344   179.96574
   82    63 S   CA   _C13    56     1.40599   120.73622   177.29369
   83    82 S   OH   _O36    57     1.36951   123.55702     0.15826
   84    83 S   HO   _H14    58     0.97379   109.04632     0.58851
  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  12   5   4   3
  13   2   1   1  13   5   8   3   2   1   4   2   1   1   6   2
   9  14   7  13   9   4   3   8   4  10   3   8   3   8  11   7
   3   2   1   3   2   1   1  10   9   4   1   7   4   2   1   4
   2   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    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    39    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    47    48    49    39    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    47    48    49    50    39    40    41    42    43    44    45    46  
   47    48    49    39    43  
   40    41    42    43    44    45    46    47  
   41    42    43  
   42    43  
   43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    52    53  
   49    50  
   50    51    52    56    74    53    54    55    58  
   51    52    56    57    60    72    74    75    53    54    55    58    59    62  
   52    56    74    53    54    55    58  
   56    57    60    61    63    72    73    74    75    53    54    55    58  
   54    55    58    59    62    64    68    56    74  
   55    58    59    62  
   58    59    62  
   57    60    61    63    72    82    74    75  
   60    61    63    74  
   59    62    64    65    66    67    68    69    70    71  
   62    64    68  
   61    63    72    73    80    82    83    74  
   63    72    82  
   64    65    66    67    68    69    70    71  
   72    73    76    80    81    82    83    84    78    74    75  
   65    66    67    68    69    70    71  
   66    67    68  
   67    68  
   68  
   69    70    71  
   70    71  
   71  
    0  
   73    76    77    80    82    83    78    79    74    75  
   76    77    80    81    82    78    79    74    75  
   75    76    78    82  
    0  
   77    80    81    82    83    78    79  
   80    81    82    78  
   79    80  
    0  
   81    82    83    84  
   82    83  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   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   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   83   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    47   465.000  1.376
   47    48   745.000  1.250
   47    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    53   268.000  1.529
   52    56   549.000  1.340
   52    74   320.000  1.462
   56    57   340.000  1.080
   56    60   320.000  1.462
   60    61   570.000  1.229
   60    63   310.000  1.470
   63    72   469.000  1.400
   63    82   469.000  1.400
   72    73   469.000  1.400
   72    74   310.000  1.470
   73    76   469.000  1.400
   73    78   450.000  1.364
   76    77   367.000  1.080
   76    80   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   450.000  1.364
   83    84   553.000  0.945
   78    79   553.000  0.945
   74    75   570.000  1.229
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   317.000  1.510
   58    59   340.000  1.080
   58    62   549.000  1.340
   62    64   317.000  1.510
   62    68   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    47    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    65.00000  137.10300
   37    47    49    80.00000  120.01400
   47    37    38    40.00000  120.50800
   47    49    50    90.00000  111.18400
   49    47    48    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    85.00000  110.90400
   49    50    53    50.00000  109.50000
   50    52    56    70.00000  124.00000
   50    52    74    65.00000  116.34900
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    58    70.00000  112.02700
   52    50    51    35.00000  109.50000
   52    56    57    35.00000  120.00000
   52    56    60    65.00000  118.96000
   52    74    72    65.00000  117.02400
   52    74    75    80.00000  123.72100
   56    60    61    80.00000  123.72100
   56    60    63    65.00000  117.02400
   60    56    57    40.00000  117.72500
   60    63    72    60.00000  119.52600
   60    63    82    60.00000  119.52600
   63    60    61    75.00000  123.78400
   63    72    73    63.00000  120.00000
   63    72    74    60.00000  119.52600
   63    82    80    63.00000  120.00000
   63    82    83    70.00000  120.00000
   72    73    76    63.00000  120.00000
   72    73    78    70.00000  120.00000
   72    74    75    75.00000  123.78400
   73    76    77    35.00000  120.00000
   73    76    80    63.00000  120.00000
   73    78    79    35.00000  113.00000
   76    80    81    35.00000  120.00000
   76    80    82    63.00000  120.00000
   80    76    77    35.00000  120.00000
   80    82    83    70.00000  120.00000
   82    63    72    63.00000  120.00000
   82    80    81    35.00000  120.00000
   82    83    84    35.00000  113.00000
   78    73    76    70.00000  120.00000
   74    52    56    65.00000  118.96000
   74    72    73    60.00000  119.52600
   53    50    51    37.50000  110.70000
   53    50    52    70.00000  112.02700
   53    58    59    35.00000  117.00000
   53    58    62    70.00000  124.00000
   55    53    54    33.00000  107.80000
   58    53    54    35.00000  109.50000
   58    53    55    35.00000  109.50000
   58    62    64    70.00000  124.00000
   58    62    68    70.00000  124.00000
   62    58    59    35.00000  120.00000
   62    64    65    35.00000  109.50000
   62    64    66    35.00000  109.50000
   62    64    67    35.00000  109.50000
   62    68    69    35.00000  109.50000
   62    68    70    35.00000  109.50000
   62    68    71    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    62    64    65.00000  117.92700
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   39    33    37    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
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    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    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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   0.00000  1.0 1.0
   29    33    37    47   0.42700  1.0 1.0
   29    33    37    47  -0.70350 -1.0 2.0
   29    33    37    47  -0.43150  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
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   7.00000 -1.0 2.0
   33    37    47    49   7.00000 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    49    50  -2.26850  1.0 1.0
   37    47    49    50   3.39050 -1.0 2.0
   38    37    47    48   7.00000 -1.0 2.0
   38    37    47    49   7.00000 -1.0 2.0
   47    49    50    51   0.08050  1.0 3.0
   47    49    50    52  -0.48150  1.0 1.0
   47    49    50    52   0.09250 -1.0 2.0
   47    49    50    52  -0.12850  1.0 3.0
   47    49    50    53  -0.46850  1.0 1.0
   47    49    50    53   0.09300 -1.0 2.0
   47    49    50    53  -0.12850  1.0 3.0
   48    47    49    50   2.00000 -1.0 2.0
   49    50    52    56   0.39000  1.0 1.0
   49    50    52    56  -0.05800 -1.0 2.0
   49    50    52    56  -0.55150  1.0 3.0
   49    50    52    74   0.09700  1.0 1.0
   49    50    52    74   0.15600 -1.0 2.0
   49    50    52    74  -0.50800  1.0 3.0
   49    50    53    54   0.23400  1.0 3.0
   49    50    53    55   0.23400  1.0 3.0
   49    50    53    58   0.61850  1.0 1.0
   49    50    53    58  -0.22750 -1.0 2.0
   49    50    53    58   0.15300  1.0 3.0
   50    52    56    57   7.00000 -1.0 2.0
   50    52    56    60   7.00000 -1.0 2.0
   50    52    74    72   1.50000 -1.0 2.0
   50    52    74    75  -0.64400  1.0 1.0
   50    52    74    75   0.26850 -1.0 2.0
   50    53    58    59   0.00000  1.0 1.0
   50    53    58    62   0.09850  1.0 1.0
   50    53    58    62   0.15250 -1.0 2.0
   50    53    58    62  -0.50650  1.0 3.0
   51    50    52    56   0.00000  1.0 1.0
   51    50    52    74   0.15000  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    58   0.15000  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    55   0.15000  1.0 3.0
   52    50    53    58   0.31000  1.0 1.0
   52    50    53    58   0.14700 -1.0 2.0
   52    50    53    58   0.07550  1.0 3.0
   52    56    60    61   1.00000 -1.0 2.0
   52    56    60    63  -1.65800  1.0 1.0
   52    56    60    63   0.77650 -1.0 2.0
   56    52    74    72  -1.65800  1.0 1.0
   56    52    74    72   0.77650 -1.0 2.0
   56    52    74    75   1.00000 -1.0 2.0
   56    60   -63    72  -0.11500  1.0 1.0
   56    60   -63    72   1.10450 -1.0 2.0
   56    60   -63    72  -0.48050  1.0 3.0
   56    60    63    82  -0.11500  1.0 1.0
   56    60    63    82   1.10450 -1.0 2.0
   56    60    63    82  -0.48050  1.0 3.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    63   1.64500 -1.0 2.0
   60    63    72    73   3.62500 -1.0 2.0
   60    63    72    74   3.62500 -1.0 2.0
   60    63    82    80   3.62500 -1.0 2.0
   60    63    82    83   3.62500 -1.0 2.0
   61    60    63    72   1.05000 -1.0 2.0
   61    60    63    82   1.05000 -1.0 2.0
   63    72    73    76   3.62500 -1.0 2.0
   63    72    73    78   3.62500 -1.0 2.0
   63    72   -74    52  -0.11500  1.0 1.0
   63    72   -74    52   1.10450 -1.0 2.0
   63    72   -74    52  -0.48050  1.0 3.0
   63    72    74    75   1.05000 -1.0 2.0
   63    82    83    84   0.84100 -1.0 2.0
   72    63    82    80   3.62500 -1.0 2.0
   72    63    82    83   3.62500 -1.0 2.0
   72    73    76    77   3.62500 -1.0 2.0
   72    73   -76    80   3.62500 -1.0 2.0
   72    73    78    79   0.84100 -1.0 2.0
   73    72    74    52  -0.11500  1.0 1.0
   73    72    74    52   1.10450 -1.0 2.0
   73    72    74    52  -0.48050  1.0 3.0
   73    72    74    75   1.05000 -1.0 2.0
   73    76    80    81   3.62500 -1.0 2.0
   73    76    80    82   3.62500 -1.0 2.0
   76    73    78    79   0.84100 -1.0 2.0
   76    80   -82    63   3.62500 -1.0 2.0
   76    80    82    83   3.62500 -1.0 2.0
   77    76    80    81   3.62500 -1.0 2.0
   77    76    80    82   3.62500 -1.0 2.0
   80    82    83    84   0.84100 -1.0 2.0
   81    80    82    63   3.62500 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   82    63   -72    73   3.62500 -1.0 2.0
   82    63    72    74   3.62500 -1.0 2.0
   78    73    76    77   3.62500 -1.0 2.0
   78    73    76    80   3.62500 -1.0 2.0
   74    52    56    57   7.00000 -1.0 2.0
   74    52   -56    60   7.00000 -1.0 2.0
   74    72    73    76   3.62500 -1.0 2.0
   74    72    73    78   3.62500 -1.0 2.0
   53    50    52    56   0.09850  1.0 1.0
   53    50    52    56   0.15250 -1.0 2.0
   53    50    52    56  -0.50650  1.0 3.0
   53    50    52    74   0.09700  1.0 1.0
   53    50    52    74   0.15600 -1.0 2.0
   53    50    52    74  -0.50800  1.0 3.0
   53    58    62    64   7.00000 -1.0 2.0
   53    58    62    68   7.00000 -1.0 2.0
   54    53    58    59   0.33100  1.0 3.0
   54    53    58    62   0.00000  1.0 1.0
   55    53    58    59   0.33100  1.0 3.0
   55    53    58    62   0.00000  1.0 1.0
   58    62    64    65   0.00000  1.0 1.0
   58    62    64    66   0.00000  1.0 1.0
   58    62    64    67   0.00000  1.0 1.0
   58    62    68    69   0.00000  1.0 1.0
   58    62    68    70   0.00000  1.0 1.0
   58    62    68    71   0.00000  1.0 1.0
   59    58    62    64   7.00000 -1.0 2.0
   59    58    62    68   7.00000 -1.0 2.0
   64    62    68    69   0.34800  1.0 3.0
   64    62    68    70   0.34800  1.0 3.0
   64    62    68    71   0.34800  1.0 3.0
   68    62    64    65   0.34800  1.0 3.0
   68    62    64    66   0.34800  1.0 3.0
   68    62    64    67   0.34800  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    47   0.09850  1.0 1.0
   39    33    37    47   0.15250 -1.0 2.0
   39    33    37    47  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    46   0.15000  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    47   0.09850  1.0 1.0
   43    33    37    47   0.15250 -1.0 2.0
   43    33    37    47  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    47  15.00000 -1.0 2.0
   48    49    47    37  15.00000 -1.0 2.0
   50    74    52    56   1.10000 -1.0 2.0
   60    57    56    52   1.10000 -1.0 2.0
   56    63    60    61  10.50000 -1.0 2.0
   72    82    63    60   4.00000 -1.0 2.0
   73    74    72    63   4.00000 -1.0 2.0
   76    78    73    72   4.00000 -1.0 2.0
   80    77    76    73   1.10000 -1.0 2.0
   82    81    80    76   1.10000 -1.0 2.0
   80    83    82    63   4.00000 -1.0 2.0
   52    72    74    75  10.50000 -1.0 2.0
   53    59    58    62  15.00000 -1.0 2.0
   64    68    62    58  15.00000 -1.0 2.0
END
