* LIGAND DATABASE FILE (OPLS2005)
*
001      88    91    163    264     486
    1     0 S   NP   _N1_     1    29.39206    92.96811   -17.97851
    2     1 S   H    _HN1     2     1.02973   117.02540    47.25181
    3     1 S   H    _H1_     3     1.02833    30.19195   124.37281
    4     1 S   H    _H2_     4     1.02772    77.74933   -57.29709
    5     1 S   CT   _CA1     5     1.50257   125.15366  -166.07182
    6     5 S   HC   _HA1     6     1.09571   105.14508    29.20986
    7     5 S   CO3  _C1_     7     1.53914   112.20458   -90.70440
    8     7 S   O2Z  _O11     8     1.26429   115.02962   -39.97539
    9     7 S   O2Z  _O12     9     1.26256   114.91060   138.64038
   10     5 S   CT   _CB1    10     1.53040   107.24642   147.00543
   11    10 S   HC   HB11    11     1.09820   109.31366   -48.27177
   12    10 S   HC   HB12    12     1.09789   110.32454    68.01846
   13    10 S   CT   _CG1    13     1.53119   113.05515  -169.49449
   14    13 S   HC   HG11    14     1.09421   110.46724   -58.40568
   15    13 S   HC   HG12    15     1.09598   110.38045    60.47240
   16    13 S   C    _CD1    16     1.51875   110.99701   179.61134
   17    16 S   O    _OE1    17     1.22869   122.31543   -35.55192
   18    16 S   N    _N2_    18     1.38509   112.76599   145.75656
   19    18 S   H    _HN2    19     1.01558   119.30883     0.33572
   20    18 S   CT1  _CA2    20     1.46410   123.21294  -177.75807
   21    20 S   HC   _HA2    21     1.09740   109.26079   -13.79984
   22    20 S   C    _C2_    22     1.53400   108.49148  -129.46617
   23    22 S   O    _O2_    23     1.23015   122.29547  -147.01701
   24    20 S   CT   _CB2    32     1.53673   111.51497   108.08882
   25    24 S   HC   HB21    33     1.09261   109.27585    59.61354
   26    24 S   HC   HB22    34     1.09548   110.19934   177.34273
   27    22 S   N    _N3_    24     1.38538   113.37027    40.46922
   28    27 S   H    _HN3    25     1.01529   118.86204    -0.67609
   29    24 S   S    _SG2    35     1.83444   110.91640   -64.00178
   30    27 S   CT   _CA3    26     1.45434   123.42037   175.21386
   31    30 S   HC   HA31    27     1.09527   109.18670    25.36664
   32    30 S   HC   HA32    28     1.09495   107.13271   142.33655
   33    29 S   CT   _C18    36     1.88679   103.59751   149.41094
   34    33 S   OM   _O37    37     1.31931   108.62936    50.58793
   35    30 S   CO3  _C3_    29     1.52918   113.15824   -98.09442
   36    35 S   O2Z  _O31    30     1.26400   115.42344   -44.96211
   37    35 S   O2Z  _O32    31     1.26362   114.98457   136.02382
   38    33 S   CT   _C19    38     1.56634   107.81485   -67.49561
   39    38 S   HC   _H5_    39     1.09899   109.44393    51.43191
   40    33 S   CT   _C17    71     1.60064   110.79031   172.96491
   41    40 S   HC   _H4_    72     1.09657   106.09600   173.60972
   42    38 S   CO4  _C20    40     1.52332   109.25744   -64.08536
   43    42 S   O    _O33    41     1.23249   120.31529   128.77956
   44    40 S   NT   _N5_    73     1.48874   121.20481   -69.14928
   45    38 S   C    _C23    84     1.54165   117.38075   169.91416
   46    45 S   O    _O36    85     1.22690   125.21473    22.01258
   47    42 S   CT   _C21    42     1.52676   117.56297   -54.86806
   48    44 S   CT   _C24    74     1.45280   117.84863    55.18020
   49    48 S   HC   _H17    75     1.09668   109.88649   166.34453
   50    48 S   HC   _H18    76     1.09395   111.91607    49.48764
   51    48 S   HC   _H19    77     1.09421   112.65751   -74.40035
   52    44 S   CT   _C25    78     1.45959   114.37894   -78.36866
   53    52 S   HC   _H20    79     1.09634   110.00647  -164.33742
   54    52 S   HC   _H21    80     1.09377   113.00055    75.57935
   55    52 S   HC   _H22    81     1.09561   111.41820   -47.13951
   56    45 S   N    _N4_    86     1.37950   112.74183  -159.72547
   57    56 S   H    _H15    87     1.01446   122.60316    -0.43069
   58    56 S   H    _H16    88     1.01370   120.25887  -179.32045
   59    47 S   CO4  _C22    43     1.52338   112.00312   -78.61613
   60    59 S   O    _O34    44     1.23089   120.48878   -41.30551
   61    47 S   OH   _O35    82     1.43202   107.21159   168.00664
   62    61 S   HO   _H14    83     0.97697   108.16327    51.00599
   63    59 S   CA   _C13    45     1.49562   119.94492   140.68967
   64    63 S   CA   _C14    46     1.40173   119.29213    13.91303
   65    63 S   CA   _C12    57     1.40777   120.88644  -166.52599
   66    64 S   CA   _C5_    47     1.41865   119.38594   175.33314
   67    65 S   OH   _O38    58     1.37656   120.48449     1.42189
   68    67 S   HO   _H23    59     0.97233   109.90591    -3.01915
   69    64 S   CT   _C15    66     1.51161   119.28339    -2.92831
   70    69 S   HC   _H12    67     1.09783   107.84162    87.79614
   71    69 S   HC   _H13    68     1.09318   111.57360  -156.12611
   72    66 S   CA   _C6_    48     1.43107   120.53127     7.11395
   73    66 S   CT   _C4_    62     1.51664   119.44384  -174.57469
   74    73 S   HC   _H6_    63     1.09404   110.10289   -91.97372
   75    73 S   HC   _H7_    64     1.09406   112.00234    29.88743
   76    73 S   HC   _H8_    65     1.09397   111.80656   145.91671
   77    47 S   CT   _C16    69     1.53398   111.41923    50.18844
   78    77 S   HC   _H3_    70     1.09844   107.94242    71.65547
   79    72 S   CA   _C7_    49     1.41856   122.17208   174.12877
   80    79 S   HA   _H9_    50     1.08750   121.11208    -1.66613
   81    79 S   CA   _C8_    51     1.39369   122.75272   179.28181
   82    81 S   HA   _H10    52     1.08601   120.07552  -179.96044
   83    81 S   CA   _C9_    53     1.38078   119.61141     0.19180
   84    83 S   HA   _H11    54     1.08597   119.45806  -179.89721
   85    83 S   CA   _C10    55     1.39541   119.30219     0.49614
   86    72 S   CA   _C11    56     1.42121   119.89483    -5.44921
   87    85 S   OH   _O39    60     1.37458   117.27545   179.60091
   88    87 S   HO   _H24    61     0.97162   109.40066    -0.14804
  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  10   5   4   3
  17   8   2   1   1  15   7  21   7  13   5  12   5   3  12   8
   3   2   1   4   2   1   1   2   1   1  12   5   5   1  13  15
  10  14   4   1   6   3   2  12   5   2   1   1   1   1   7   4
   6   3   5   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    77    40    41    44    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    47    69    77    78    40    41    44    48    52    45    46    56  
   38    39    42    77    40    41    44    45  
   36    37  
   37  
    0  
   39    42    43    47    59    77    40    41    44    61    45    46    56    57    58  
   42    43    47    40    45    46    56  
   41    44    48    49    50    51    52    53    54    55    61    45    42    47    59    64    69    70    71    77    78  
   44    48    52    47    69    77    78  
   43    47    59    60    63    69    77    78    61    62    45    46    56  
   47    59    77    61    45  
   48    49    50    51    52    53    54    55    47    69    77    78  
   46    56    57    58    47  
   56    57    58  
   59    60    63    64    65    69    70    71    77    78    61    62  
   49    50    51    52    53    54    55    77  
   50    51    52  
   51    52  
   52  
   53    54    55    77  
   54    55  
   55  
    0  
   57    58  
   58  
    0  
   60    63    64    66    86    65    67    69    77    78    61    62  
   63    64    65    77    61  
   62    63    69    77    78  
   77  
   64    66    72    85    86    65    67    68    73    69    70    71    77  
   66    72    79    86    65    67    73    74    75    76    69    70    71    77    78  
   67    68    87    69    66    72    79    83    85    86  
   72    79    80    81    85    86    73    74    75    76    69    70    71    77  
   68    72    85    86  
   86  
   70    71    77    78    72    73  
   71    77    78  
   77    78  
   79    80    81    82    83    85    86    87    73    74    75    76  
   74    75    76    79    86  
   75    76  
   76  
    0  
   78  
    0  
   80    81    82    83    84    85    86  
   81    82    83    86  
   82    83    84    85    86    87  
   83    84    85  
   84    85    86    87    88  
   85    86    87  
   86    87    88  
   87    88  
   88  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   45   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   47   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   57   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   58   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   59   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   85   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   86   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   87   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   88   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    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   570.000  1.307
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    45   317.000  1.522
   42    43   570.000  1.229
   42    47   317.000  1.522
   47    59   317.000  1.522
   47    77   268.000  1.529
   47    61   320.000  1.410
   59    60   570.000  1.229
   59    63   310.000  1.470
   63    64   469.000  1.400
   63    65   469.000  1.400
   64    66   469.000  1.400
   64    69   317.000  1.510
   66    72   469.000  1.400
   66    73   317.000  1.510
   72    79   469.000  1.400
   72    86   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   367.000  1.080
   81    83   469.000  1.400
   83    84   367.000  1.080
   83    85   469.000  1.400
   85    86   469.000  1.400
   85    87   450.000  1.364
   86    65   469.000  1.400
   65    67   450.000  1.364
   67    68   553.000  0.945
   87    88   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    77   268.000  1.529
   77    78   340.000  1.090
   77    40   268.000  1.529
   40    41   340.000  1.090
   40    44   382.000  1.448
   44    48   382.000  1.448
   44    52   382.000  1.448
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   61    62   553.000  0.945
   45    46   570.000  1.229
   45    56   490.000  1.335
   56    57   434.000  1.010
   56    58   434.000  1.010
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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    45    63.00000  111.10000
   33    40    77    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    56.20000  109.47000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    47    70.00000  116.00000
   38    45    46    80.00000  120.40000
   38    45    56    70.00000  116.60000
   42    38    39    35.00000  109.50000
   42    47    59    75.00000  107.99600
   42    47    77    63.00000  111.10000
   42    47    61    90.00000  109.61100
   47    42    43    80.00000  120.40000
   47    59    60    80.00000  120.40000
   47    59    63    65.00000  115.47100
   47    77    69    58.35000  112.70000
   47    77    78    37.50000  110.70000
   47    77    40    58.35000  112.70000
   47    61    62    55.00000  108.50000
   59    63    64    60.00000  119.52600
   59    63    65    60.00000  119.52600
   63    59    60    75.00000  123.78400
   63    64    66    63.00000  120.00000
   63    64    69    70.00000  120.00000
   63    65    86    63.00000  120.00000
   63    65    67    70.00000  120.00000
   64    66    72    63.00000  120.00000
   64    66    73    70.00000  120.00000
   64    69    70    35.00000  109.50000
   64    69    71    35.00000  109.50000
   64    69    77    70.00000  112.17500
   66    72    79    63.00000  120.00000
   66    72    86    63.00000  120.00000
   66    73    74    35.00000  109.50000
   66    73    75    35.00000  109.50000
   66    73    76    35.00000  109.50000
   72    79    80    35.00000  120.00000
   72    79    81    63.00000  120.00000
   72    86    85    63.00000  120.00000
   72    86    65    63.00000  120.00000
   79    81    82    35.00000  120.00000
   79    81    83    63.00000  120.00000
   81    79    80    35.00000  120.00000
   81    83    84    35.00000  120.00000
   81    83    85    63.00000  120.00000
   83    81    82    35.00000  120.00000
   83    85    86    63.00000  120.00000
   83    85    87    70.00000  120.00000
   85    83    84    35.00000  120.00000
   85    86    65    63.00000  120.00000
   85    87    88    35.00000  113.00000
   86    72    79    63.00000  120.00000
   86    65    67    70.00000  120.00000
   65    63    64    63.00000  120.00000
   65    67    68    35.00000  113.00000
   87    85    86    70.00000  120.00000
   73    66    72    70.00000  120.00000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   69    64    66    70.00000  120.00000
   69    77    78    37.50000  110.70000
   69    77    40    58.35000  112.70000
   71    69    70    33.00000  107.80000
   77    47    59    63.00000  111.10000
   77    69    70    37.50000  110.70000
   77    69    71    37.50000  110.70000
   77    40    41    37.50000  110.70000
   77    40    44    56.20000  109.47000
   40    33    34    50.00000  109.50000
   40    33    38    58.35000  112.70000
   40    77    78    37.50000  110.70000
   40    44    48    51.80000  107.20000
   40    44    52    51.80000  107.20000
   44    40    41    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    51    35.00000  109.50000
   44    52    53    35.00000  109.50000
   44    52    54    35.00000  109.50000
   44    52    55    35.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   52    44    48    51.80000  107.20000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   61    47    59    90.00000  109.61100
   61    47    77    50.00000  109.50000
   45    38    39    35.00000  109.50000
   45    38    42    70.00000  107.85200
   45    56    57    35.00000  119.80000
   45    56    58    35.00000  119.80000
   56    45    46    80.00000  122.90000
   58    56    57    35.00000  120.00000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   29    33    40    77   0.44750  1.0 1.0
   29    33    40    77  -0.17800 -1.0 2.0
   29    33    40    77   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    47   0.60050  1.0 1.0
   33    38    42    47   0.05600 -1.0 2.0
   33    38    42    47   0.26150  1.0 3.0
   33    38    45    46   0.30150 -1.0 2.0
   33    38    45    56   1.39750  1.0 1.0
   33    38    45    56  -0.07950 -1.0 2.0
   33    38    45    56  -0.18750  1.0 3.0
   33    40    44    48   0.23450  1.0 1.0
   33    40    44    48   0.02050 -1.0 2.0
   33    40    44    48   0.25250  1.0 3.0
   33    40    44    52   0.23450  1.0 1.0
   33    40    44    52   0.02050 -1.0 2.0
   33    40    44    52   0.25250  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    38    45  -0.09450  1.0 1.0
   34    33    38    45  -1.12950 -1.0 2.0
   34    33    38    45   0.54000  1.0 3.0
   34    33    40    77   0.62750  1.0 1.0
   34    33    40    77  -0.30950 -1.0 2.0
   34    33    40    77   0.27300  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   1.74050  1.0 1.0
   38    33    40    77   0.56750  1.0 1.0
   38    33    40    77  -0.07550 -1.0 2.0
   38    33    40    77   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   1.85550  1.0 1.0
   38    33    40    44  -0.84100 -1.0 2.0
   38    42    47    59   0.65300  1.0 1.0
   38    42    47    59  -0.03850 -1.0 2.0
   38    42    47    59   0.33900  1.0 3.0
   38    42   -47    77   0.60050  1.0 1.0
   38    42   -47    77   0.05600 -1.0 2.0
   38    42   -47    77   0.26150  1.0 3.0
   38    42    47    61   0.55300  1.0 1.0
   38    42    47    61   1.25850 -1.0 2.0
   38    42    47    61  -0.23600  1.0 3.0
   38    45    56    57   2.45000 -1.0 2.0
   38    45    56    58   2.45000 -1.0 2.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    47   0.00000  1.0 1.0
   39    38    45    46   0.00000  1.0 1.0
   39    38    45    56   0.00000  1.0 1.0
   42    38    45    46   0.30150 -1.0 2.0
   42    38    45    56   0.00000  1.0 1.0
   42    47    59    60   0.30150 -1.0 2.0
   42    47    59    63   0.65300  1.0 1.0
   42    47    59    63  -0.03850 -1.0 2.0
   42    47    59    63   0.33900  1.0 3.0
   42    47    77    69  -0.95700  1.0 1.0
   42    47    77    69  -0.18200 -1.0 2.0
   42    47    77    69   0.29450  1.0 3.0
   42    47    77    78  -0.11250  1.0 3.0
   42    47    77    40  -0.95700  1.0 1.0
   42    47    77    40  -0.18200 -1.0 2.0
   42    47    77    40   0.29450  1.0 3.0
   42    47    61    62   0.91850  1.0 1.0
   42    47    61    62   0.57950  1.0 3.0
   43    42    47    59   0.30150 -1.0 2.0
   43    42    47    77   0.30150 -1.0 2.0
   43    42    47    61   0.30150 -1.0 2.0
   47    59    63    64   2.26350  1.0 1.0
   47    59    63    64   0.76750 -1.0 2.0
   47    59    63    64   0.22500  1.0 3.0
   47    59    63    65   2.26350  1.0 1.0
   47    59    63    65   0.76750 -1.0 2.0
   47    59    63    65   0.22500  1.0 3.0
   47    77   -40    33   0.56750  1.0 1.0
   47    77   -40    33  -0.07550 -1.0 2.0
   47    77   -40    33   0.20000  1.0 3.0
   47    77    40    41   0.15000  1.0 3.0
   47    77    40    44   1.85550  1.0 1.0
   47    77    40    44  -0.84100 -1.0 2.0
   59    47    77    69  -0.95700  1.0 1.0
   59    47    77    69  -0.18200 -1.0 2.0
   59    47    77    69   0.29450  1.0 3.0
   59    47    77    78  -0.11250  1.0 3.0
   59    47    77    40  -0.95700  1.0 1.0
   59    47    77    40  -0.18200 -1.0 2.0
   59    47    77    40   0.29450  1.0 3.0
   59    47    61    62   0.91850  1.0 1.0
   59    47    61    62   0.57950  1.0 3.0
   59    63    64    66   3.62500 -1.0 2.0
   59    63   -64    69   3.62500 -1.0 2.0
   59    63    65    86   3.62500 -1.0 2.0
   59    63    65    67   3.62500 -1.0 2.0
   60    59    63    64   1.05000 -1.0 2.0
   60    59    63    65   1.05000 -1.0 2.0
   63    64    66    72   3.62500 -1.0 2.0
   63    64    66    73   3.62500 -1.0 2.0
   63    64    69    70   0.00000  1.0 1.0
   63    64    69    71   0.00000  1.0 1.0
   63    64    69    77   0.04150 -1.0 2.0
   63    65    67    68   0.84100 -1.0 2.0
   64    63    65    86   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   64    66    72    79   3.62500 -1.0 2.0
   64    66   -72    86   3.62500 -1.0 2.0
   64    66    73    74   0.00000  1.0 1.0
   64    66    73    75   0.00000  1.0 1.0
   64    66    73    76   0.00000  1.0 1.0
   64    69   -77    47  -0.03700  1.0 1.0
   64    69   -77    47   0.37200 -1.0 2.0
   64    69   -77    47  -0.47300  1.0 3.0
   64    69    77    78   0.43200  1.0 3.0
   64    69    77    40  -0.03700  1.0 1.0
   64    69    77    40   0.37200 -1.0 2.0
   64    69    77    40  -0.47300  1.0 3.0
   66    64    69    70   0.00000  1.0 1.0
   66    64    69    71   0.00000  1.0 1.0
   66    64    69    77   0.04150 -1.0 2.0
   66    72    79    80   3.62500 -1.0 2.0
   66    72    79    81   3.62500 -1.0 2.0
   66    72    86    85   3.62500 -1.0 2.0
   66    72    86    65   3.62500 -1.0 2.0
   72    66    73    74   0.00000  1.0 1.0
   72    66    73    75   0.00000  1.0 1.0
   72    66    73    76   0.00000  1.0 1.0
   72    79    81    82   3.62500 -1.0 2.0
   72    79    81    83   3.62500 -1.0 2.0
   72    86   -65    63   3.62500 -1.0 2.0
   72    86    65    67   3.62500 -1.0 2.0
   79    72    86    85   3.62500 -1.0 2.0
   79    72    86    65   3.62500 -1.0 2.0
   79    81    83    84   3.62500 -1.0 2.0
   79    81   -83    85   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   80    79    81    83   3.62500 -1.0 2.0
   81    83    85    86   3.62500 -1.0 2.0
   81    83    85    87   3.62500 -1.0 2.0
   82    81    83    84   3.62500 -1.0 2.0
   82    81    83    85   3.62500 -1.0 2.0
   83    85   -86    72   3.62500 -1.0 2.0
   83    85    86    65   3.62500 -1.0 2.0
   83    85    87    88   0.84100 -1.0 2.0
   84    83    85    86   3.62500 -1.0 2.0
   84    83    85    87   3.62500 -1.0 2.0
   85    86    65    63   3.62500 -1.0 2.0
   85    86    65    67   3.62500 -1.0 2.0
   86    72    79    80   3.62500 -1.0 2.0
   86    72   -79    81   3.62500 -1.0 2.0
   86    85    87    88   0.84100 -1.0 2.0
   86    65    67    68   0.84100 -1.0 2.0
   65    63   -64    66   3.62500 -1.0 2.0
   65    63    64    69   3.62500 -1.0 2.0
   87    85    86    72   3.62500 -1.0 2.0
   87    85    86    65   3.62500 -1.0 2.0
   73    66    72    79   3.62500 -1.0 2.0
   73    66    72    86   3.62500 -1.0 2.0
   69    64    66    72   3.62500 -1.0 2.0
   69    64    66    73   3.62500 -1.0 2.0
   69    77    40    33   0.56750  1.0 1.0
   69    77    40    33  -0.07550 -1.0 2.0
   69    77    40    33   0.20000  1.0 3.0
   69    77    40    41   0.15000  1.0 3.0
   69    77    40    44   1.85550  1.0 1.0
   69    77    40    44  -0.84100 -1.0 2.0
   70    69    77    47   0.15000  1.0 3.0
   70    69    77    78   0.15000  1.0 3.0
   70    69    77    40   0.15000  1.0 3.0
   71    69    77    47   0.15000  1.0 3.0
   71    69    77    78   0.15000  1.0 3.0
   71    69    77    40   0.15000  1.0 3.0
   77    47    59    60   0.30150 -1.0 2.0
   77    47   -59    63   0.05850 -1.0 2.0
   77    47   -59    63   0.17250  1.0 3.0
   77    47    61    62  -0.11600  1.0 1.0
   77    47    61    62  -0.09450 -1.0 2.0
   77    47    61    62   0.21250  1.0 3.0
   77    40    44    48   0.23450  1.0 1.0
   77    40    44    48   0.02050 -1.0 2.0
   77    40    44    48   0.25250  1.0 3.0
   77    40    44    52   0.23450  1.0 1.0
   77    40    44    52   0.02050 -1.0 2.0
   77    40    44    52   0.25250  1.0 3.0
   78    77    40    33   0.15000  1.0 3.0
   78    77    40    41   0.15000  1.0 3.0
   78    77    40    44   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42  -0.95700  1.0 1.0
   40    33   -38    42  -0.18200 -1.0 2.0
   40    33   -38    42   0.29450  1.0 3.0
   40    33    38    45  -0.95700  1.0 1.0
   40    33    38    45  -0.18200 -1.0 2.0
   40    33    38    45   0.29450  1.0 3.0
   40    44    48    49   0.28000  1.0 3.0
   40    44    48    50   0.28000  1.0 3.0
   40    44    48    51   0.28000  1.0 3.0
   40    44    52    53   0.28000  1.0 3.0
   40    44    52    54   0.28000  1.0 3.0
   40    44    52    55   0.28000  1.0 3.0
   41    40    44    48   0.28000  1.0 3.0
   41    40    44    52   0.28000  1.0 3.0
   48    44    52    53   0.28000  1.0 3.0
   48    44    52    54   0.28000  1.0 3.0
   48    44    52    55   0.28000  1.0 3.0
   52    44    48    49   0.28000  1.0 3.0
   52    44    48    50   0.28000  1.0 3.0
   52    44    48    51   0.28000  1.0 3.0
   61    47    59    60   0.30150 -1.0 2.0
   61    47    59    63   0.65300  1.0 1.0
   61    47    59    63  -0.03850 -1.0 2.0
   61    47    59    63   0.33900  1.0 3.0
   61    47    77    69   0.86500  1.0 1.0
   61    47    77    69  -0.17500 -1.0 2.0
   61    47    77    69   0.20800  1.0 3.0
   61    47    77    78   0.23400  1.0 3.0
   61    47    77    40   0.86500  1.0 1.0
   61    47    77    40  -0.17500 -1.0 2.0
   61    47    77    40   0.20800  1.0 3.0
   45    38    42    43   0.30150 -1.0 2.0
   45    38    42    47   0.65300  1.0 1.0
   45    38    42    47  -0.03850 -1.0 2.0
   45    38    42    47   0.33900  1.0 3.0
   46    45    56    57   2.45000 -1.0 2.0
   46    45    56    58   2.45000 -1.0 2.0
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
   36    30    35    37  10.50000 -1.0 2.0
   38    47    42    43  10.50000 -1.0 2.0
   47    63    59    60  10.50000 -1.0 2.0
   64    65    63    59   4.00000 -1.0 2.0
   66    69    64    63   4.00000 -1.0 2.0
   72    73    66    64   4.00000 -1.0 2.0
   79    86    72    66   4.00000 -1.0 2.0
   81    80    79    72   1.10000 -1.0 2.0
   83    82    81    79   1.10000 -1.0 2.0
   85    84    83    81   1.10000 -1.0 2.0
   86    87    85    83   4.00000 -1.0 2.0
   85    65    86    72   4.00000 -1.0 2.0
   86    67    65    63   4.00000 -1.0 2.0
   38    56    45    46  10.50000 -1.0 2.0
   58    45    56    57   1.00000 -1.0 2.0
END
