* LIGAND DATABASE FILE (OPLS2005)
*
001      83    84    148    222     430
    1     0 S   NP   _N1_     1    28.44203    95.91355   -20.72848
    2     1 S   H    _HN1     2     1.02954    81.60547    28.56815
    3     1 S   H    _H1_     3     1.02828    40.67356   157.41039
    4     1 S   H    _H2_     4     1.02778    87.07796   -80.47959
    5     1 S   CT   _CA1     5     1.50150   151.01394   145.94234
    6     5 S   HC   _HA1     6     1.09576   105.16813    67.20720
    7     5 S   CO3  _C1_     7     1.53759   112.33450   -52.88243
    8     7 S   O2Z  _O11     8     1.26368   115.01688   -43.19222
    9     7 S   O2Z  _O12     9     1.26231   114.94718   135.71390
   10     5 S   CT   _CB1    10     1.53070   107.37277  -174.93279
   11    10 S   HC   HB11    11     1.09826   109.26580   -49.91022
   12    10 S   HC   HB12    12     1.09816   110.47042    66.66082
   13    10 S   CT   _CG1    13     1.52983   112.69428  -170.97189
   14    13 S   HC   HG11    14     1.09527   110.43316   -65.56558
   15    13 S   HC   HG12    15     1.09661   109.96211    53.61411
   16    13 S   C    _CD1    16     1.51843   112.27755   173.82759
   17    16 S   O    _OE1    17     1.22737   123.28426    -0.45024
   18    16 S   N    _N2_    18     1.38620   111.68245   179.90721
   19    18 S   H    _HN2    19     1.01604   118.92333     0.68927
   20    18 S   CT1  _CA2    20     1.46318   123.41402   178.61450
   21    20 S   HC   _HA2    21     1.09737   109.39802    -6.66294
   22    20 S   C    _C2_    22     1.53398   108.47564  -122.16059
   23    22 S   O    _O2_    23     1.23036   122.35384  -148.36736
   24    20 S   CT   _CB2    32     1.53290   111.31144   115.45936
   25    24 S   HC   HB21    33     1.09423   109.51546    55.78201
   26    24 S   HC   HB22    34     1.09506   110.86833   174.28598
   27    22 S   N    _N3_    24     1.38358   113.51277    39.19224
   28    27 S   H    _HN3    25     1.01635   119.49158    -3.71784
   29    24 S   S    _SG2    35     1.82668   111.08502   -66.53348
   30    27 S   CT   _CA3    26     1.45283   123.14668   176.93893
   31    30 S   HC   HA31    27     1.09551   107.55017   -63.33338
   32    30 S   HC   HA32    28     1.09558   107.92132    53.07351
   33    29 S   CT   _C16    36     1.82903   100.07202   151.83015
   34    33 S   HC   _H3_    37     1.09491   109.61438    44.97391
   35    30 S   CO3  _C3_    29     1.52938   114.12947   175.04663
   36    35 S   O2Z  _O31    30     1.26368   116.05782    -0.42521
   37    35 S   O2Z  _O32    31     1.26430   114.41212   179.62413
   38    33 S   CO4  _C11    38     1.50759   109.30090   -72.72603
   39    38 S   O    _O22    39     1.22689   123.01175   101.82190
   40    38 S   CA   _C7_    40     1.47327   116.05715   -74.83537
   41    40 S   CA   _C6_    41     1.40878   117.48886   -28.14068
   42    41 S   CA   _C8_    42     1.41557   116.01546   174.19579
   43    41 S   CMA  _C10    52     1.52692   120.76190    -8.46951
   44    43 S   OM   _O21    53     1.26825   119.01366  -155.09355
   45    42 S   CA   _C4_    43     1.39947   122.17079     0.82044
   46    45 S   HA   _H28    44     1.08694   120.31559  -179.62675
   47    42 S   OH   _O24    50     1.37335   122.91586  -178.62926
   48    47 S   HO   _H48    51     0.97551   107.34401    -5.38962
   49    33 S   CM   _C12    54     1.51450   110.55384   167.08366
   50    45 S   CA   _C5_    45     1.38898   120.11308     0.65938
   51    50 S   HA   _H29    46     1.08642   119.85877   179.75772
   52    49 S   CT   _C22    55     1.54170   114.86921   -94.63869
   53    52 S   HC   _H46    56     1.09621   110.04165   163.05327
   54    40 S   CA   _C9_    47     1.40453   120.44374   148.00195
   55    52 S   CT   _C21    57     1.54183   110.69982   -75.78073
   56    55 S   HC   _H44    58     1.09408   110.68714    67.88747
   57    55 S   HC   _H45    59     1.09778   109.87463   -48.88428
   58    52 S   OS   _O26    71     1.44926   108.62471    43.68949
   59    54 S   OH   _O25    48     1.36852   123.24406     4.04235
   60    59 S   HO   _H49    49     0.97350   108.82425     7.65425
   61    55 S   CM   _C13    60     1.50624   112.23785  -167.93794
   62    61 S   HC   _H30    61     1.08961   113.99536    74.34292
   63    58 S   CO4  _C15    72     1.36346   118.63978   138.27432
   64    63 S   O    _O23    73     1.22371   126.31308    -1.57421
   65    61 S   CM   _C14    62     1.34680   127.79402  -106.14093
   66    63 S   CT   _C23    74     1.51705   109.36070   179.07380
   67    66 S   HC   _H47    75     1.09723   108.48569   -25.87933
   68    65 S   CT   _C17    63     1.50533   120.42606  -179.09388
   69    68 S   HC   _H32    64     1.09494   110.21424   121.32314
   70    68 S   HC   _H33    65     1.09510   112.41685     1.24945
   71    68 S   HC   _H34    66     1.09501   110.25037  -118.85149
   72    65 S   CT   _C18    67     1.50272   125.16377     1.88232
   73    72 S   HC   _H35    68     1.09533   110.07585   127.18929
   74    72 S   HC   _H36    69     1.09212   113.56370     7.65548
   75    72 S   HC   _H37    70     1.09476   110.07982  -113.53519
   76    66 S   CT   _C19    76     1.52285   109.46779    93.57185
   77    76 S   HC   _H38    77     1.09573   111.30971    61.11102
   78    76 S   HC   _H39    78     1.09482   110.95279   -58.37011
   79    76 S   HC   _H40    79     1.09482   110.89261  -178.40529
   80    66 S   CT   _C20    80     1.52568   110.29772  -143.53594
   81    80 S   HC   _H41    81     1.09567   111.52658   -63.53543
   82    80 S   HC   _H42    82     1.09493   110.76775   176.13305
   83    80 S   HC   _H43    83     1.09533   110.81597    56.18039
  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   8   5   4   3
  13   6   2   1   1  10   4  12  12  10   9   2   7   4   2   1
   8   4   2  11   6   2   9   5   4   7   1   1  10   3  11   4
   8   9   8   7   3   2   1   3   2   1   1   7   3   2   1   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    49    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    54    43    44    49    52    53    55    58  
   38    39    40    43    49    52  
   36    37  
   37  
    0  
   39    40    41    42    50    54    59    43    49    52  
   40    41    54    49  
   41    42    45    50    51    54    59    60    47    43    44    49  
   42    45    46    50    54    59    47    48    43    44    49    52  
   45    46    50    51    54    47    48    43    44    49  
   44    49    52    53    55    58    45    47    54  
   49    52  
   46    50    51    54    59    47    48  
   50    51    54    47  
   48    50  
    0  
   52    53    55    56    57    61    58    63  
   51    54    59    60  
   54    59  
   53    55    56    57    61    62    65    58    63    64    66  
   55    56    57    61    58    63  
   59    60  
   56    57    61    62    65    68    72    58    63  
   57    61    62    65    58  
   61    62    65    58  
   63    64    66    67    76    80    61  
   60  
    0  
   62    65    68    69    70    71    72    73    74    75  
   65    68    72  
   64    66    67    76    77    78    79    80    81    82    83  
   66    67    76    80  
   68    69    70    71    72    73    74    75  
   67    76    77    78    79    80    81    82    83  
   76    77    78    79    80    81    82    83  
   69    70    71    72    73    74    75  
   70    71    72  
   71    72  
   72  
   73    74    75  
   74    75  
   75  
    0  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   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  1.522
   33    49   317.000  1.510
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    54   469.000  1.400
   41    42   469.000  1.400
   41    43   320.000  1.460
   42    45   469.000  1.400
   42    47   450.000  1.364
   45    46   367.000  1.080
   45    50   469.000  1.400
   50    51   367.000  1.080
   50    54   469.000  1.400
   54    59   450.000  1.364
   59    60   553.000  0.945
   47    48   553.000  0.945
   43    44   745.000  1.250
   43    49   465.000  1.376
   49    52   317.000  1.510
   52    53   340.000  1.090
   52    55   268.000  1.529
   52    58   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    61   317.000  1.510
   61    62   340.000  1.080
   61    65   549.000  1.340
   65    68   317.000  1.510
   65    72   317.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   58    63   214.000  1.327
   63    64   570.000  1.229
   63    66   317.000  1.522
   66    67   340.000  1.090
   66    76   268.000  1.529
   66    80   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   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  110.18000
   29    33    49    75.00000  112.20000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    49    43    70.00000  124.00000
   33    49    52    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    40    41    60.00000  119.52600
   38    40    54    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    42    63.00000  120.00000
   40    41    43    60.00000  120.93500
   40    54    50    63.00000  120.00000
   40    54    59    70.00000  120.00000
   41    42    45    63.00000  120.00000
   41    42    47    70.00000  120.00000
   41    43    44    85.00000  114.86500
   41    43    49    60.00000  123.20500
   42    45    46    35.00000  120.00000
   42    45    50    63.00000  120.00000
   42    47    48    35.00000  113.00000
   45    50    51    35.00000  120.00000
   45    50    54    63.00000  120.00000
   50    45    46    35.00000  120.00000
   50    54    59    70.00000  120.00000
   54    40    41    63.00000  120.00000
   54    50    51    35.00000  120.00000
   54    59    60    35.00000  113.00000
   47    42    45    70.00000  120.00000
   43    41    42    60.00000  120.93500
   43    49    52    70.00000  124.00000
   49    33    34    35.00000  109.50000
   49    33    38    70.00000  109.06800
   49    43    44    65.00000  137.10300
   49    52    53    35.00000  109.50000
   49    52    55    70.00000  112.02700
   49    52    58    85.00000  110.90400
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    61    70.00000  112.02700
   52    58    63    83.00000  116.90000
   55    52    53    37.50000  110.70000
   55    61    62    35.00000  117.00000
   55    61    65    70.00000  124.00000
   57    55    56    33.00000  107.80000
   61    55    56    35.00000  109.50000
   61    55    57    35.00000  109.50000
   61    65    68    70.00000  124.00000
   61    65    72    70.00000  124.00000
   65    61    62    35.00000  120.00000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    71    35.00000  109.50000
   65    72    73    35.00000  109.50000
   65    72    74    35.00000  109.50000
   65    72    75    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    65    68    65.00000  117.92700
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   58    52    53    35.00000  109.50000
   58    52    55    50.00000  109.50000
   58    63    64    83.00000  123.40000
   58    63    66    81.00000  111.40000
   63    66    67    35.00000  109.50000
   63    66    76    63.00000  111.10000
   63    66    80    63.00000  111.10000
   66    63    64    80.00000  120.40000
   66    76    77    37.50000  110.70000
   66    76    78    37.50000  110.70000
   66    76    79    37.50000  110.70000
   66    80    81    37.50000  110.70000
   66    80    82    37.50000  110.70000
   66    80    83    37.50000  110.70000
   76    66    67    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    66    67    37.50000  110.70000
   80    66    76    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    49  -0.62250  1.0 1.0
   24    29    33    49  -0.38450 -1.0 2.0
   24    29    33    49   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    49    43   0.42700  1.0 1.0
   29    33    49    43  -0.70350 -1.0 2.0
   29    33    49    43  -0.43150  1.0 3.0
   29    33    49    52   0.30250  1.0 1.0
   29    33    49    52  -0.14950 -1.0 2.0
   29    33    49    52   0.36900  1.0 3.0
   33    38    40    41   2.26350  1.0 1.0
   33    38    40    41   0.76750 -1.0 2.0
   33    38    40    41   0.22500  1.0 3.0
   33    38    40    54   2.26350  1.0 1.0
   33    38    40    54   0.76750 -1.0 2.0
   33    38    40    54   0.22500  1.0 3.0
   33    49    52    53   0.34800  1.0 3.0
   33    49    52    55   0.46850  1.0 1.0
   33    49    52    55   0.08550 -1.0 2.0
   33    49    52    55   0.09800  1.0 3.0
   33    49    52    58   0.09700  1.0 1.0
   33    49    52    58   0.15600 -1.0 2.0
   33    49    52    58  -0.50800  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    49    43   0.00000  1.0 1.0
   34    33    49    52   0.34800  1.0 3.0
   38    33    49    43  -0.51250  1.0 1.0
   38    33    49    43  -0.88800 -1.0 2.0
   38    33    49    43   0.08850  1.0 3.0
   38    33    49    52   0.17250  1.0 1.0
   38    33    49    52  -0.04100 -1.0 2.0
   38    33    49    52  -0.33850  1.0 3.0
   38    40    41    42   3.62500 -1.0 2.0
   38    40   -41    43   3.62500 -1.0 2.0
   38    40    54    50   3.62500 -1.0 2.0
   38    40    54    59   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    54   1.05000 -1.0 2.0
   40    41    42    45   3.62500 -1.0 2.0
   40    41    42    47   3.62500 -1.0 2.0
   40    41    43    44  -0.01750  1.0 1.0
   40    41    43    44  -0.32000 -1.0 2.0
   40    41    43    44   0.00600  1.0 3.0
   40    41    43    49   0.15800  1.0 1.0
   40    41    43    49   1.85350 -1.0 2.0
   40    41    43    49  -0.48700  1.0 3.0
   40    54    59    60   0.84100 -1.0 2.0
   41    40    54    50   3.62500 -1.0 2.0
   41    40    54    59   3.62500 -1.0 2.0
   41    42    45    46   3.62500 -1.0 2.0
   41    42   -45    50   3.62500 -1.0 2.0
   41    42    47    48   0.84100 -1.0 2.0
   41    43   -49    33   7.00000 -1.0 2.0
   41    43    49    52   7.00000 -1.0 2.0
   42    41    43    44  -0.01750  1.0 1.0
   42    41    43    44  -0.32000 -1.0 2.0
   42    41    43    44   0.00600  1.0 3.0
   42    41    43    49   0.15800  1.0 1.0
   42    41    43    49   1.85350 -1.0 2.0
   42    41    43    49  -0.48700  1.0 3.0
   42    45    50    51   3.62500 -1.0 2.0
   42    45    50    54   3.62500 -1.0 2.0
   45    42    47    48   0.84100 -1.0 2.0
   45    50   -54    40   3.62500 -1.0 2.0
   45    50    54    59   3.62500 -1.0 2.0
   46    45    50    51   3.62500 -1.0 2.0
   46    45    50    54   3.62500 -1.0 2.0
   50    54    59    60   0.84100 -1.0 2.0
   51    50    54    40   3.62500 -1.0 2.0
   51    50    54    59   3.62500 -1.0 2.0
   54    40   -41    42   3.62500 -1.0 2.0
   54    40    41    43   3.62500 -1.0 2.0
   47    42    45    46   3.62500 -1.0 2.0
   47    42    45    50   3.62500 -1.0 2.0
   43    41    42    45   3.62500 -1.0 2.0
   43    41    42    47   3.62500 -1.0 2.0
   43    49    52    53   0.00000  1.0 1.0
   43    49    52    55   0.09850  1.0 1.0
   43    49    52    55   0.15250 -1.0 2.0
   43    49    52    55  -0.50650  1.0 3.0
   43    49    52    58   0.39000  1.0 1.0
   43    49    52    58  -0.05800 -1.0 2.0
   43    49    52    58  -0.55150  1.0 3.0
   44    43    49    33   7.00000 -1.0 2.0
   44    43    49    52   7.00000 -1.0 2.0
   49    33    38    39   0.30150 -1.0 2.0
   49    33   -38    40   0.65300  1.0 1.0
   49    33   -38    40  -0.03850 -1.0 2.0
   49    33   -38    40   0.33900  1.0 3.0
   49    52    55    56   0.15000  1.0 3.0
   49    52    55    57   0.15000  1.0 3.0
   49    52    55    61   0.31000  1.0 1.0
   49    52    55    61   0.14700 -1.0 2.0
   49    52    55    61   0.07550  1.0 3.0
   49    52    58    63  -0.82050  1.0 1.0
   49    52    58    63   0.00600 -1.0 2.0
   49    52    58    63   0.04400  1.0 3.0
   52    55    61    62   0.00000  1.0 1.0
   52    55    61    65   0.09850  1.0 1.0
   52    55    61    65   0.15250 -1.0 2.0
   52    55    61    65  -0.50650  1.0 3.0
   52    58    63    64   3.00000 -1.0 2.0
   52    58    63    66   1.63150  1.0 1.0
   52    58    63    66   2.92000 -1.0 2.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    61   0.15000  1.0 3.0
   53    52    58    63   0.08050  1.0 3.0
   55    52    58    63  -0.25900  1.0 1.0
   55    52    58    63  -0.47000 -1.0 2.0
   55    52    58    63   0.11750  1.0 3.0
   55    61    65    68   7.00000 -1.0 2.0
   55    61    65    72   7.00000 -1.0 2.0
   56    55    61    62   0.33100  1.0 3.0
   56    55    61    65   0.00000  1.0 1.0
   57    55    61    62   0.33100  1.0 3.0
   57    55    61    65   0.00000  1.0 1.0
   61    65    68    69   0.00000  1.0 1.0
   61    65    68    70   0.00000  1.0 1.0
   61    65    68    71   0.00000  1.0 1.0
   61    65    72    73   0.00000  1.0 1.0
   61    65    72    74   0.00000  1.0 1.0
   61    65    72    75   0.00000  1.0 1.0
   62    61    65    68   7.00000 -1.0 2.0
   62    61    65    72   7.00000 -1.0 2.0
   68    65    72    73   0.34800  1.0 3.0
   68    65    72    74   0.34800  1.0 3.0
   68    65    72    75   0.34800  1.0 3.0
   72    65    68    69   0.34800  1.0 3.0
   72    65    68    70   0.34800  1.0 3.0
   72    65    68    71   0.34800  1.0 3.0
   58    52    55    56   0.23400  1.0 3.0
   58    52    55    57   0.23400  1.0 3.0
   58    52    55    61   0.61850  1.0 1.0
   58    52    55    61  -0.22750 -1.0 2.0
   58    52    55    61   0.15300  1.0 3.0
   58    63    66    67   0.00000  1.0 1.0
   58    63    66    76   0.36750  1.0 3.0
   58    63    66    80   0.36750  1.0 3.0
   63    66    76    77  -0.11250  1.0 3.0
   63    66    76    78  -0.11250  1.0 3.0
   63    66    76    79  -0.11250  1.0 3.0
   63    66    80    81  -0.11250  1.0 3.0
   63    66    80    82  -0.11250  1.0 3.0
   63    66    80    83  -0.11250  1.0 3.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    76   0.30150 -1.0 2.0
   64    63    66    80   0.30150 -1.0 2.0
   67    66    76    77   0.15000  1.0 3.0
   67    66    76    78   0.15000  1.0 3.0
   67    66    76    79   0.15000  1.0 3.0
   67    66    80    81   0.15000  1.0 3.0
   67    66    80    82   0.15000  1.0 3.0
   67    66    80    83   0.15000  1.0 3.0
   76    66    80    81   0.15000  1.0 3.0
   76    66    80    82   0.15000  1.0 3.0
   76    66    80    83   0.15000  1.0 3.0
   80    66    76    77   0.15000  1.0 3.0
   80    66    76    78   0.15000  1.0 3.0
   80    66    76    79   0.15000  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    40    38    39  10.50000 -1.0 2.0
   41    54    40    38   4.00000 -1.0 2.0
   42    43    41    40   4.00000 -1.0 2.0
   45    47    42    41   4.00000 -1.0 2.0
   50    46    45    42   1.10000 -1.0 2.0
   54    51    50    45   1.10000 -1.0 2.0
   50    59    54    40   4.00000 -1.0 2.0
   41    44    43    49   1.10000 -1.0 2.0
   33    52    49    43   1.10000 -1.0 2.0
   55    62    61    65  15.00000 -1.0 2.0
   68    72    65    61  15.00000 -1.0 2.0
   58    66    63    64  10.50000 -1.0 2.0
END
