* LIGAND DATABASE FILE (OPLS2005)
*
001      81    82    145    211     415
    1     0 S   NP   _N1_     1    29.00708    95.56103   -16.92468
    2     1 S   H    _HN1     2     1.02978   106.51674    63.24159
    3     1 S   H    _H1_     3     1.02824    36.91870   159.57555
    4     1 S   H    _H2_     4     1.02741    73.45806   -41.60420
    5     1 S   CT   _CA1     5     1.50256   137.83238  -146.85357
    6     5 S   HC   _HA1     6     1.09601   105.02083    29.20998
    7     5 S   CO3  _C1_     7     1.53859   112.59828   -89.94518
    8     7 S   O2Z  _O11     8     1.26321   115.08146   -32.33386
    9     7 S   O2Z  _O12     9     1.26282   114.96124   146.25039
   10     5 S   CT   _CB1    10     1.53109   107.20227   146.57955
   11    10 S   HC   HB11    11     1.09798   108.87066   -53.10483
   12    10 S   HC   HB12    12     1.09753   110.35473    62.99870
   13    10 S   CT   _CG1    13     1.53000   113.15417  -174.44882
   14    13 S   HC   HG11    14     1.09524   110.24073   -66.00337
   15    13 S   HC   HG12    15     1.09647   110.15207    52.92628
   16    13 S   C    _CD1    16     1.51916   112.42738   172.55584
   17    16 S   O    _OE1    17     1.22753   123.05168   -18.66076
   18    16 S   N    _N2_    18     1.38644   111.85205   163.32441
   19    18 S   H    _HN2    19     1.01605   118.84051    -2.19482
   20    18 S   CT1  _CA2    20     1.46323   123.67353   177.03317
   21    20 S   HC   _HA2    21     1.09756   109.09980   -20.00844
   22    20 S   C    _C2_    22     1.53485   107.87050  -135.25874
   23    22 S   O    _O2_    23     1.22996   122.39019  -144.93709
   24    20 S   CT   _CB2    32     1.53483   111.88271   102.50764
   25    24 S   HC   HB21    33     1.09443   110.12925    52.76754
   26    24 S   HC   HB22    34     1.09521   110.56868   170.86894
   27    22 S   N    _N3_    24     1.38559   113.23873    42.39047
   28    27 S   H    _HN3    25     1.01537   118.92679    -0.47724
   29    24 S   S    _SG2    35     1.82637   111.59985   -70.89103
   30    27 S   CT   _CA3    26     1.45445   123.40576   175.10667
   31    30 S   HC   HA31    27     1.09528   109.16791    25.49558
   32    30 S   HC   HA32    28     1.09494   107.13086   142.50140
   33    29 S   CT   _C16    36     1.83219   100.58373   139.25718
   34    33 S   HC   _H3_    37     1.09587   108.68241    50.54397
   35    30 S   CO3  _C3_    29     1.52937   113.19911   -97.92776
   36    35 S   O2Z  _O31    30     1.26398   115.46312   -42.90702
   37    35 S   O2Z  _O32    31     1.26363   114.94258   138.03922
   38    33 S   CO4  _C11    38     1.51096   107.07339   166.90333
   39    38 S   O    _O21    39     1.22828   121.45557   -96.98599
   40    38 S   CA   _C5_    40     1.49052   117.92501    80.36365
   41    40 S   CA   _C6_    41     1.40563   120.28586    15.78414
   42    41 S   CA   _C9_    42     1.41157   119.41706  -177.57473
   43    41 S   CO4  _C10    77     1.49310   119.57694     2.17430
   44    43 S   O    _O20    78     1.22622   122.10217  -171.96056
   45    42 S   CA   _C7_    43     1.40920   121.11142     3.47463
   46    42 S   OS   _O24    72     1.37458   120.51667  -179.47474
   47    33 S   CT   _C15    79     1.51651   114.16200   -72.04881
   48    47 S   HC   _H29    80     1.09743   110.39043   175.41649
   49    47 S   HC   _H30    81     1.09508   111.20427    56.83744
   50    45 S   CA   _C4_    44     1.40157   118.28318    -4.64924
   51    50 S   HA   _H27    45     1.08837   120.01110  -178.51457
   52    45 S   CT   _C22    49     1.52095   121.95474   174.00243
   53    52 S   HC   _H46    50     1.09570   110.07741     5.84580
   54    46 S   CT   _C20    73     1.43122   110.15759    92.12663
   55    54 S   HC   _H41    74     1.09342   107.85899   175.92681
   56    54 S   HC   _H42    75     1.09551   111.65509    57.62391
   57    54 S   HC   _H43    76     1.09499   111.21196   -65.59760
   58    40 S   CA   _C8_    46     1.40174   120.28675  -161.67099
   59    52 S   CT   _C21    51     1.54166   113.01586  -115.89858
   60    59 S   HC   _H44    52     1.09797   110.46213   -61.47405
   61    59 S   HC   _H45    53     1.09623   109.81660  -175.18399
   62    52 S   OS   _O25    65     1.44752   107.17799   123.71012
   63    58 S   OH   _O23    47     1.36947   123.62361    -2.75463
   64    63 S   HO   _H47    48     0.97373   109.09711    -3.28289
   65    59 S   CM   _C12    54     1.50441   113.32110    60.45812
   66    65 S   HC   _H28    55     1.08944   114.47301   -88.17008
   67    62 S   CO4  _C14    66     1.36259   117.41979  -153.15747
   68    67 S   O    _O22    67     1.22310   126.42771    -0.29475
   69    65 S   CM   _C13    56     1.34614   127.26826    92.83283
   70    67 S   CT   _C19    68     1.49830   109.48817   179.76179
   71    70 S   HC   _H38    69     1.09291   109.82762   -60.82831
   72    70 S   HC   _H39    70     1.09378   109.36356  -179.86294
   73    70 S   HC   _H40    71     1.09289   109.82609    61.08307
   74    69 S   CT   _C17    57     1.50475   120.51158   178.42132
   75    74 S   HC   _H32    58     1.09403   110.31737   120.31269
   76    74 S   HC   _H33    59     1.09488   110.19935  -119.90752
   77    74 S   HC   _H34    60     1.09512   112.42112     0.23407
   78    69 S   CT   _C18    61     1.50230   124.75559    -2.09088
   79    78 S   HC   _H35    62     1.09478   110.11976   115.65405
   80    78 S   HC   _H36    63     1.09263   113.33971    -5.26931
   81    78 S   HC   _H37    64     1.09521   110.06830  -124.96307
  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
  11   7   2   1   1  11   4  12  13  16   7   3  14   6   2   1
   1   8   3  12   6   3   2   1   1   2   9   5   4   7   1   1
  10   3   5   4   8   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    47    48    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    58    43    44    47    48    49  
   38    39    40    43    47    48    49  
   36    37  
   37  
    0  
   39    40    41    42    50    58    63    43    47    48    49  
   40    41    58    47  
   41    42    45    50    51    58    63    64    46    43    44    47  
   42    45    50    58    63    52    46    54    43    44    47    48    49  
   45    50    51    58    52    53    59    62    46    54    55    56    57    43    44    47  
   44    47    48    49    45    46    58  
   47    48    49  
   50    51    58    63    52    53    59    60    61    65    62    67    46    54  
   54    55    56    57    50    52  
   48    49  
   49  
    0  
   51    58    63    64    52    53    59    62  
   58    63    52  
   53    59    60    61    65    66    69    62    67    68    70    58  
   59    60    61    65    62    67  
   55    56    57  
   56    57  
   57  
    0  
   63    64  
   60    61    65    66    69    74    78    62    67  
   61    65    66    69    62  
   65    66    69    62  
   67    68    70    71    72    73    65  
   64  
    0  
   66    69    74    75    76    77    78    79    80    81  
   69    74    78  
   68    70    71    72    73  
   70    71    72    73  
   74    75    76    77    78    79    80    81  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   46   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   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    47   268.000  1.529
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    58   469.000  1.400
   41    42   469.000  1.400
   41    43   310.000  1.470
   42    45   469.000  1.400
   42    46   450.000  1.364
   45    50   469.000  1.400
   45    52   317.000  1.510
   50    51   367.000  1.080
   50    58   469.000  1.400
   58    63   450.000  1.364
   63    64   553.000  0.945
   52    53   340.000  1.090
   52    59   268.000  1.529
   52    62   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   317.000  1.510
   65    66   340.000  1.080
   65    69   549.000  1.340
   69    74   317.000  1.510
   69    78   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   62    67   214.000  1.327
   67    68   570.000  1.229
   67    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   46    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   43    44   570.000  1.229
   43    47   317.000  1.522
   47    48   340.000  1.090
   47    49   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    47    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    47    43    63.00000  111.10000
   33    47    48    37.50000  110.70000
   33    47    49    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    60.00000  119.52600
   38    40    58    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    42    63.00000  120.00000
   40    41    43    60.00000  119.52600
   40    58    50    63.00000  120.00000
   40    58    63    70.00000  120.00000
   41    42    45    63.00000  120.00000
   41    42    46    70.00000  120.00000
   41    43    44    75.00000  123.78400
   41    43    47    65.00000  115.47100
   42    45    50    63.00000  120.00000
   42    45    52    70.00000  120.00000
   42    46    54    75.00000  111.00000
   45    50    51    35.00000  120.00000
   45    50    58    63.00000  120.00000
   45    52    53    35.00000  109.50000
   45    52    59    70.00000  112.17500
   45    52    62    85.00000  111.85700
   50    58    63    70.00000  120.00000
   58    40    41    63.00000  120.00000
   58    50    51    35.00000  120.00000
   58    63    64    35.00000  113.00000
   52    45    50    70.00000  120.00000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    65    70.00000  112.02700
   52    62    67    83.00000  116.90000
   59    52    53    37.50000  110.70000
   59    65    66    35.00000  117.00000
   59    65    69    70.00000  124.00000
   61    59    60    33.00000  107.80000
   65    59    60    35.00000  109.50000
   65    59    61    35.00000  109.50000
   65    69    74    70.00000  124.00000
   65    69    78    70.00000  124.00000
   69    65    66    35.00000  120.00000
   69    74    75    35.00000  109.50000
   69    74    76    35.00000  109.50000
   69    74    77    35.00000  109.50000
   69    78    79    35.00000  109.50000
   69    78    80    35.00000  109.50000
   69    78    81    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    69    74    65.00000  117.92700
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   62    52    53    35.00000  109.50000
   62    52    59    50.00000  109.50000
   62    67    68    83.00000  123.40000
   62    67    70    81.00000  111.40000
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    73    35.00000  109.50000
   70    67    68    80.00000  120.40000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   46    42    45    70.00000  120.00000
   46    54    55    35.00000  109.50000
   46    54    56    35.00000  109.50000
   46    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   43    41    42    60.00000  119.52600
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   47    33    34    37.50000  110.70000
   47    33    38    63.00000  111.10000
   47    43    44    80.00000  120.40000
   49    47    48    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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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    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    47    43   0.56750  1.0 1.0
   29    33    47    43  -0.07550 -1.0 2.0
   29    33    47    43   0.20000  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    49   0.15000  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    58   2.26350  1.0 1.0
   33    38    40    58   0.76750 -1.0 2.0
   33    38    40    58   0.22500  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    47    43  -0.11250  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    49   0.15000  1.0 3.0
   38    33    47    43   0.11950  1.0 1.0
   38    33    47    43   0.20300 -1.0 2.0
   38    33    47    43  -0.70800  1.0 3.0
   38    33    47    48  -0.11250  1.0 3.0
   38    33    47    49  -0.11250  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    58    50   3.62500 -1.0 2.0
   38    40    58    63   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    58   1.05000 -1.0 2.0
   40    41    42    45   3.62500 -1.0 2.0
   40    41    42    46   3.62500 -1.0 2.0
   40    41    43    44   1.05000 -1.0 2.0
   40    41    43    47   2.26350  1.0 1.0
   40    41    43    47   0.76750 -1.0 2.0
   40    41    43    47   0.22500  1.0 3.0
   40    58    63    64   0.84100 -1.0 2.0
   41    40    58    50   3.62500 -1.0 2.0
   41    40    58    63   3.62500 -1.0 2.0
   41    42   -45    50   3.62500 -1.0 2.0
   41    42    45    52   3.62500 -1.0 2.0
   41    42    46    54   1.63200 -1.0 2.0
   41    43   -47    33   0.05850 -1.0 2.0
   41    43   -47    33   0.17250  1.0 3.0
   41    43    47    48   0.00000  1.0 1.0
   41    43    47    49   0.00000  1.0 1.0
   42    41    43    44   1.05000 -1.0 2.0
   42    41    43    47   2.26350  1.0 1.0
   42    41    43    47   0.76750 -1.0 2.0
   42    41    43    47   0.22500  1.0 3.0
   42    45    50    51   3.62500 -1.0 2.0
   42    45    50    58   3.62500 -1.0 2.0
   42    45    52    53   0.00000  1.0 1.0
   42    45    52    59   0.04150 -1.0 2.0
   42    45    52    62   0.64500  1.0 1.0
   42    45    52    62   0.14800 -1.0 2.0
   42    45    52    62   0.20650  1.0 3.0
   42    46    54    55   0.08050  1.0 3.0
   42    46    54    56   0.08050  1.0 3.0
   42    46    54    57   0.08050  1.0 3.0
   45    42    46    54   1.63200 -1.0 2.0
   45    50   -58    40   3.62500 -1.0 2.0
   45    50    58    63   3.62500 -1.0 2.0
   45    52    59    60   0.43200  1.0 3.0
   45    52    59    61   0.43200  1.0 3.0
   45    52    59    65   0.21200  1.0 1.0
   45    52    59    65   0.16900 -1.0 2.0
   45    52    59    65  -1.15100  1.0 3.0
   45    52    62    67  -0.43900 -1.0 2.0
   45    52    62    67   0.14100  1.0 3.0
   50    45    52    53   0.00000  1.0 1.0
   50    45    52    59   0.04150 -1.0 2.0
   50    45    52    62   0.64500  1.0 1.0
   50    45    52    62   0.14800 -1.0 2.0
   50    45    52    62   0.20650  1.0 3.0
   50    58    63    64   0.84100 -1.0 2.0
   51    50    58    40   3.62500 -1.0 2.0
   51    50    58    63   3.62500 -1.0 2.0
   58    40   -41    42   3.62500 -1.0 2.0
   58    40    41    43   3.62500 -1.0 2.0
   52    45    50    51   3.62500 -1.0 2.0
   52    45    50    58   3.62500 -1.0 2.0
   52    59    65    66   0.00000  1.0 1.0
   52    59    65    69   0.09850  1.0 1.0
   52    59    65    69   0.15250 -1.0 2.0
   52    59    65    69  -0.50650  1.0 3.0
   52    62    67    68   3.00000 -1.0 2.0
   52    62    67    70   1.63150  1.0 1.0
   52    62    67    70   2.92000 -1.0 2.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    61   0.15000  1.0 3.0
   53    52    59    65   0.15000  1.0 3.0
   53    52    62    67   0.08050  1.0 3.0
   59    52    62    67  -0.25900  1.0 1.0
   59    52    62    67  -0.47000 -1.0 2.0
   59    52    62    67   0.11750  1.0 3.0
   59    65    69    74   7.00000 -1.0 2.0
   59    65    69    78   7.00000 -1.0 2.0
   60    59    65    66   0.33100  1.0 3.0
   60    59    65    69   0.00000  1.0 1.0
   61    59    65    66   0.33100  1.0 3.0
   61    59    65    69   0.00000  1.0 1.0
   65    69    74    75   0.00000  1.0 1.0
   65    69    74    76   0.00000  1.0 1.0
   65    69    74    77   0.00000  1.0 1.0
   65    69    78    79   0.00000  1.0 1.0
   65    69    78    80   0.00000  1.0 1.0
   65    69    78    81   0.00000  1.0 1.0
   66    65    69    74   7.00000 -1.0 2.0
   66    65    69    78   7.00000 -1.0 2.0
   74    69    78    79   0.34800  1.0 3.0
   74    69    78    80   0.34800  1.0 3.0
   74    69    78    81   0.34800  1.0 3.0
   78    69    74    75   0.34800  1.0 3.0
   78    69    74    76   0.34800  1.0 3.0
   78    69    74    77   0.34800  1.0 3.0
   62    52    59    60   0.23400  1.0 3.0
   62    52    59    61   0.23400  1.0 3.0
   62    52    59    65   0.61850  1.0 1.0
   62    52    59    65  -0.22750 -1.0 2.0
   62    52    59    65   0.15300  1.0 3.0
   62    67    70    71   0.00000  1.0 1.0
   62    67    70    72   0.00000  1.0 1.0
   62    67    70    73   0.00000  1.0 1.0
   68    67    70    71   0.00000  1.0 1.0
   68    67    70    72   0.00000  1.0 1.0
   68    67    70    73   0.00000  1.0 1.0
   46    42    45    50   3.62500 -1.0 2.0
   46    42    45    52   3.62500 -1.0 2.0
   43    41    42    45   3.62500 -1.0 2.0
   43    41    42    46   3.62500 -1.0 2.0
   44    43    47    33   0.30150 -1.0 2.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    49   0.00000  1.0 1.0
   47    33    38    39   0.30150 -1.0 2.0
   47    33   -38    40   0.05850 -1.0 2.0
   47    33   -38    40   0.17250  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    58    40    38   4.00000 -1.0 2.0
   42    43    41    40   4.00000 -1.0 2.0
   45    46    42    41   4.00000 -1.0 2.0
   50    52    45    42   4.00000 -1.0 2.0
   58    51    50    45   1.10000 -1.0 2.0
   50    63    58    40   4.00000 -1.0 2.0
   59    66    65    69  15.00000 -1.0 2.0
   74    78    69    65  15.00000 -1.0 2.0
   62    70    67    68  10.50000 -1.0 2.0
   41    47    43    44  10.50000 -1.0 2.0
END
