* LIGAND DATABASE FILE (OPLS2005)
*
001      78    82    162    278     487
    1     0 S   NP   _N1_     1    30.54174    92.84996   -16.49152
    2     1 S   H    _HN1     2     1.02782    85.10087   -25.22113
    3     1 S   H    _H1_     3     1.03166   138.17833    85.78412
    4     1 S   H    _H2_     4     1.02822    32.93018   108.85741
    5     1 S   CT   _CA1     5     1.49949    99.43044  -136.92916
    6     5 S   HC   _HA1     6     1.09562   105.17829    30.40319
    7     5 S   CO3  _C1_     7     1.53811   112.55332   -90.04885
    8     7 S   O2Z  _O11     8     1.26354   115.13347   -46.01220
    9     7 S   O2Z  _O12     9     1.26238   114.89795   133.30155
   10     5 S   CT   _CB1    10     1.53043   107.65667   148.67541
   11    10 S   HC   HB11    11     1.09839   109.89530   -45.48962
   12    10 S   HC   HB12    12     1.09782   110.41692    71.00217
   13    10 S   CT   _CG1    13     1.53071   112.42638  -166.34773
   14    13 S   HC   HG11    14     1.09531   111.34200   -57.66901
   15    13 S   HC   HG12    15     1.09589   110.73810    61.50254
   16    13 S   C    _CD1    16     1.51362   109.70151  -179.03247
   17    16 S   O    _OE1    17     1.22804   121.72096   -87.52714
   18    16 S   N    _N2_    18     1.38375   112.75063    90.05255
   19    18 S   H    _HN2    19     1.01575   119.14805     5.17245
   20    18 S   CT1  _CA2    20     1.46294   123.46615  -174.81050
   21    20 S   HC   _HA2    21     1.09720   109.50818    -3.75770
   22    20 S   C    _C2_    22     1.53342   108.65309  -119.86998
   23    22 S   O    _O2_    23     1.23030   122.15992  -144.37459
   24    20 S   CT   _CB2    32     1.53484   110.81158   118.00208
   25    24 S   HC   HB21    33     1.09534   109.09730    58.38883
   26    24 S   HC   HB22    34     1.09472   110.75403   176.98806
   27    22 S   N    _N3_    24     1.38477   113.49599    42.85403
   28    27 S   H    _HN3    25     1.01508   119.02600    -0.22206
   29    24 S   S    _SG2    35     1.83043   111.06835   -63.08952
   30    27 S   CT   _CA3    26     1.45440   123.29760   175.54728
   31    30 S   HC   HA31    27     1.09535   109.06767    27.41666
   32    30 S   HC   HA32    28     1.09493   107.14957   144.36073
   33    29 S   CT   _C18    36     1.83149   100.66152   151.49104
   34    33 S   HC   _H9_    37     1.09193   105.46776   -17.87161
   35    30 S   CO3  _C3_    29     1.52928   113.29123   -95.97153
   36    35 S   O2Z  _O31    30     1.26388   115.48222   -43.54148
   37    35 S   O2Z  _O32    31     1.26371   114.94260   137.46188
   38    33 S   CT   _C17    38     1.53924   112.16162    95.99285
   39    38 S   HC   _H8_    39     1.09320   110.86887    60.74375
   40    33 S   C4T  _C8_    66     1.55555   112.48051  -136.89841
   41    38 S   CT   _C16    40     1.53978   113.62343  -175.78560
   42    41 S   HC   _H23    41     1.09692   111.10104   102.06561
   43    41 S   HC   _H24    42     1.09500   110.48653  -140.04780
   44    40 S   C4T  _C5_    67     1.58831   113.98902    98.52162
   45    44 S   HC   _H3_    68     1.09725   112.82978  -118.08940
   46    49 S   C4T  _C7_    72     1.51475   111.19837   -40.62592
   47    38 S   OH   _O33    77     1.43291   109.14542   -56.58959
   48    47 S   HO   _H25    78     0.97299   107.83214   171.13718
   49    41 S   NP   _N4_    43     1.50365   113.84371   -16.91509
   50    49 S   H    _H7_    44     1.02878   105.83404    77.87673
   51    44 S   C4T  _C6_    69     1.54518    88.94628   128.15682
   52    51 S   HC   _H13    70     1.09437   114.20834   102.90155
   53    51 S   HC   _H14    71     1.09504   114.06875  -135.52781
   54    44 S   CT   _C4_    73     1.52612   123.78463     8.98293
   55    54 S   HC   _H10    74     1.09266   112.81786    54.24895
   56    54 S   HC   _H11    75     1.09482   110.51964   -67.37810
   57    54 S   HC   _H12    76     1.09548   110.15569   174.10439
   58    49 S   CT   _C15    45     1.51861   115.31009  -165.71243
   59    58 S   HC   _H21    46     1.09560   106.87980   -46.40673
   60    58 S   HC   _H22    47     1.09447   106.97597  -160.94427
   61    58 S   CT   _C14    48     1.53047   114.20265    76.68663
   62    61 S   HC   _H19    49     1.09730   109.04273   -75.00385
   63    61 S   HC   _H20    50     1.09621   109.18981   169.52229
   64    61 S   CT   _C13    51     1.53267   113.90213    46.98725
   65    64 S   HC   _H17    52     1.09543   110.22529    69.10441
   66    64 S   HC   _H18    53     1.09579   109.36892  -173.14002
   67    64 S   CT   _C12    54     1.52071   107.63468   -52.84581
   68    67 S   HC   _H6_    55     1.09789   105.96324   -54.16323
   69    67 S   CT   _C11    56     1.53255   116.63063  -167.65651
   70    69 S   HC   _H5_    57     1.09505   111.06208    53.26633
   71    69 S   CT   _C10    58     1.51893   109.03033   175.87650
   72    71 S   HC   _H15    59     1.08934   114.21916   -47.44210
   73    71 S   HC   _H16    60     1.09830   109.97515  -168.65967
   74    71 S   CT   _C9_    61     1.51408    99.06290    76.02844
   75    74 S   HC   _H4_    62     1.09225   111.82214   157.81417
   76    74 S   CO4  _C19    63     1.52117    96.82191    45.73844
   77    76 S   O    _O35    64     1.22062   126.33860   147.88856
   78    69 S   OS   _O34    65     1.42600   112.92930   -69.78722
  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
  20   8   2   1   1  13   7  27  13   6   5  15   9  22   2   1
  15   6  12   3   2   4   2   1   1   9   5   4   8   5   4   8
   4   3   9   4   9   6   7   5   4   4   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    41    74    40    44    46    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    49    67    71    74    75    76    40    44    45    51    46    54    47    48  
   38    39    41    74    40    44    46    47  
   36    37  
   37  
    0  
   39    41    42    43    49    50    58    74    40    44    46    47    48  
   41    42    43    49    40    47    48  
   44    45    51    52    53    46    54    55    56    57    47    41    49    50    58    64    67    68    69    71    72    73    74    75    76    77    78  
   42    43    49    50    58    59    60    61    67    51    46    47    48  
   43    49    50    58    46    47  
   49    50    58    46    47  
   45    51    52    53    46    54    55    56    57    49    67    71    74    75    76  
   51    52    53    46    54    55    56    57    74  
   54    49    50    51    52    53    58    59    60    61    64    65    66    67    68    69    70    71    74    75    76    78  
   48    49  
    0  
   50    58    59    60    61    62    63    64    67    68    69    74    51    52    53  
   58    59    60    61    67    51  
   52    53    54    55    56    57    58    64    67    68    69    74  
   53    54    67  
   54    67  
   55    56    57    74  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    66    67  
   60    61    62    63    64  
   61    62    63    64  
   62    63    64    65    66    67    68    69  
   63    64    65    66    67  
   64    65    66    67  
   65    66    67    68    69    70    71    78  
   66    67    68    69  
   67    68    69  
   68    69    70    71    72    73    74    76    78  
   69    70    71    78  
   70    71    72    73    74    75    76    77    78  
   71    72    73    74    76    78  
   72    73    74    75    76    77    78  
   73    74    75    76    78  
   74    75    76    78  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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   0.166300   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.6450   1.4500   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.117600   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.118800   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   3.5000   0.0660   0.063700   1.9750   1.7500   0.005000000  -0.741685710
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.2500   0.1700   0.047500   2.1950   1.9500   0.003973653   1.685851020
   50   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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   268.000  1.529
   33    40   260.000  1.519
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    47   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    49   367.000  1.471
   49    50   434.000  1.010
   49    58   367.000  1.471
   49    46   367.000  1.471
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    46   260.000  1.519
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    78   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   317.000  1.522
   74    40   260.000  1.519
   76    77   570.000  1.229
   76    78   214.000  1.327
   40    44   268.000  1.529
   40    46   268.000  1.529
   44    45   340.000  1.090
   44    51   268.000  1.529
   44    54   260.000  1.519
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    46   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   47    48   553.000  0.945
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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    47    50.00000  109.50000
   33    40    74    58.35000  112.70000
   33    40    44    65.00000  119.52000
   33    40    46    65.00000  119.52000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    49    80.00000  111.20000
   38    47    48    55.00000  108.50000
   41    38    39    37.50000  110.70000
   41    49    50    35.00000  109.50000
   41    49    58    75.00000  113.01200
   41    49    46    75.00000  113.01200
   43    41    42    33.00000  107.80000
   49    41    42    35.00000  109.50000
   49    41    43    35.00000  109.50000
   49    58    59    35.00000  109.50000
   49    58    60    35.00000  109.50000
   49    58    61    80.00000  111.20000
   49    46    67    80.00000  111.20000
   49    46    40    80.00000  111.20000
   49    46    51    80.00000  111.20000
   58    49    50    35.00000  109.50000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    64    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    67    68    37.50000  110.70000
   64    67    69    58.35000  112.70000
   64    67    46    70.00000  112.98000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    69    70    37.50000  110.70000
   67    69    71    58.35000  112.70000
   67    69    78    50.00000  109.50000
   67    46    40    65.00000  119.52000
   67    46    51    65.00000  119.52000
   69    67    68    37.50000  110.70000
   69    71    72    37.50000  110.70000
   69    71    73    37.50000  110.70000
   69    71    74    58.35000  112.70000
   69    78    76    83.00000  116.90000
   71    69    70    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    76    63.00000  111.10000
   71    74    40    70.00000  112.98000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    76    77    80.00000  120.40000
   74    76    78    81.00000  111.40000
   74    40    44    65.00000  119.52000
   74    40    46    65.00000  119.52000
   76    74    75    35.00000  109.50000
   78    69    70    35.00000  109.50000
   78    69    71    50.00000  109.50000
   78    76    77    83.00000  123.40000
   40    33    34    45.00000  111.22300
   40    33    38    70.00000  112.98000
   40    74    75    45.00000  111.22300
   40    74    76    63.00000  111.10000
   40    44    45    37.50000  110.70000
   40    44    51    63.00000   92.00000
   40    44    54    65.00000  119.52000
   40    46    51    63.00000   92.00000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    46    63.00000   92.00000
   44    54    55    45.00000  111.22300
   44    54    56    45.00000  111.22300
   44    54    57    45.00000  111.22300
   51    44    45    37.50000  110.70000
   53    51    52    33.00000  107.80000
   46    49    50    35.00000  109.50000
   46    49    58    75.00000  113.01200
   46    67    68    45.00000  111.22300
   46    67    69    70.00000  112.98000
   46    40    44    63.00000   92.00000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   54    44    45    45.00000  112.72800
   54    44    51    65.00000  119.52000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   47    38    39    35.00000  109.50000
   47    38    41    50.00000  109.50000
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    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    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    47   0.56750  1.0 1.0
   29    33    38    47  -0.07550 -1.0 2.0
   29    33    38    47   0.20000  1.0 3.0
   29    33    40    74   0.44750  1.0 1.0
   29    33    40    74  -0.17800 -1.0 2.0
   29    33    40    74   0.20200  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   29    33    40    46   0.44750  1.0 1.0
   29    33    40    46  -0.17800 -1.0 2.0
   29    33    40    46   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    49   1.36600  1.0 1.0
   33    38    41    49  -0.11450 -1.0 2.0
   33    38    41    49   0.24250  1.0 3.0
   33    38    47    48  -0.11600  1.0 1.0
   33    38    47    48  -0.09450 -1.0 2.0
   33    38    47    48   0.21250  1.0 3.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    51  -0.70950  1.0 1.0
   33    40    44    51   0.38400 -1.0 2.0
   33    40    44    54   0.56750  1.0 1.0
   33    40    44    54  -0.07550 -1.0 2.0
   33    40    44    54   0.20000  1.0 3.0
   33    40   -46    49   1.36600  1.0 1.0
   33    40   -46    49  -0.11450 -1.0 2.0
   33    40   -46    49   0.24250  1.0 3.0
   33    40    46    67   0.56750  1.0 1.0
   33    40    46    67  -0.07550 -1.0 2.0
   33    40    46    67   0.20000  1.0 3.0
   33    40   -46    51  -0.70950  1.0 1.0
   33    40   -46    51   0.38400 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    47   0.23400  1.0 3.0
   34    33    40    74   0.15000  1.0 3.0
   34    33    40    44   0.00000  1.0 1.0
   34    33    40    46   0.00000  1.0 1.0
   38    33    40    74   0.56750  1.0 1.0
   38    33    40    74  -0.07550 -1.0 2.0
   38    33    40    74   0.20000  1.0 3.0
   38    33    40    44   0.04050  1.0 1.0
   38    33    40    44   0.63700 -1.0 2.0
   38    33    40    44   0.17650  1.0 3.0
   38    33    40    46   0.04050  1.0 1.0
   38    33    40    46   0.63700 -1.0 2.0
   38    33    40    46   0.17650  1.0 3.0
   38    41    49    50   0.17350  1.0 3.0
   38    41    49    58   0.47100  1.0 1.0
   38    41   -49    46   0.47100  1.0 1.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    49   0.19200  1.0 3.0
   39    38    47    48   0.19450  1.0 3.0
   41    38    47    48  -0.11600  1.0 1.0
   41    38    47    48  -0.09450 -1.0 2.0
   41    38    47    48   0.21250  1.0 3.0
   41    49    58    59   0.15000  1.0 3.0
   41    49    58    60   0.15000  1.0 3.0
   41    49    58    61   0.47100  1.0 1.0
   41    49    46    67   0.47100  1.0 1.0
   41    49    46    40   0.47100  1.0 1.0
   41    49    46    51   0.47100  1.0 1.0
   42    41    49    50   0.13050  1.0 3.0
   42    41    49    58   0.15000  1.0 3.0
   42    41    49    46   0.15000  1.0 3.0
   43    41    49    50   0.13050  1.0 3.0
   43    41    49    58   0.15000  1.0 3.0
   43    41    49    46   0.15000  1.0 3.0
   49    58    61    62   0.19200  1.0 3.0
   49    58    61    63   0.19200  1.0 3.0
   49    58    61    64   1.36600  1.0 1.0
   49    58    61    64  -0.11450 -1.0 2.0
   49    58    61    64   0.24250  1.0 3.0
   50    49    58    59   0.13050  1.0 3.0
   50    49    58    60   0.13050  1.0 3.0
   50    49    58    61   0.17350  1.0 3.0
   50    49    46    67   0.17350  1.0 3.0
   50    49    46    40   0.17350  1.0 3.0
   50    49    46    51   0.17350  1.0 3.0
   58    49    46    67   0.47100  1.0 1.0
   58    49    46    40   0.47100  1.0 1.0
   58    49    46    51   0.47100  1.0 1.0
   58    61    64    65   0.15000  1.0 3.0
   58    61    64    66   0.15000  1.0 3.0
   58    61   -64    67   0.56750  1.0 1.0
   58    61   -64    67  -0.07550 -1.0 2.0
   58    61   -64    67   0.20000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    64   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    64   0.15000  1.0 3.0
   61    64    67    68   0.15000  1.0 3.0
   61    64    67    69   0.56750  1.0 1.0
   61    64    67    69  -0.07550 -1.0 2.0
   61    64    67    69   0.20000  1.0 3.0
   61    64    67    46   0.31550 -1.0 2.0
   61    64    67    46   0.11250  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    67   0.15000  1.0 3.0
   64    67    69    70   0.15000  1.0 3.0
   64    67    69    71   0.56750  1.0 1.0
   64    67    69    71  -0.07550 -1.0 2.0
   64    67    69    71   0.20000  1.0 3.0
   64    67    69    78   0.62750  1.0 1.0
   64    67    69    78  -0.30950 -1.0 2.0
   64    67    69    78   0.27300  1.0 3.0
   64    67   -46    49   1.36600  1.0 1.0
   64    67   -46    49  -0.11450 -1.0 2.0
   64    67   -46    49   0.24250  1.0 3.0
   64    67    46    40   0.04050  1.0 1.0
   64    67    46    40   0.63700 -1.0 2.0
   64    67    46    40   0.17650  1.0 3.0
   64    67    46    51   0.04050  1.0 1.0
   64    67    46    51   0.63700 -1.0 2.0
   64    67    46    51   0.17650  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    46   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    46   0.15000  1.0 3.0
   67    69    71    72   0.15000  1.0 3.0
   67    69    71    73   0.15000  1.0 3.0
   67    69    71    74   0.56750  1.0 1.0
   67    69    71    74  -0.07550 -1.0 2.0
   67    69    71    74   0.20000  1.0 3.0
   67    69    78    76  -0.25900  1.0 1.0
   67    69    78    76  -0.47000 -1.0 2.0
   67    69    78    76   0.11750  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    78   0.23400  1.0 3.0
   68    67    46    49   0.19200  1.0 3.0
   68    67    46    40   0.00000  1.0 1.0
   68    67    46    51   0.00000  1.0 1.0
   69    67    46    49   1.36600  1.0 1.0
   69    67    46    49  -0.11450 -1.0 2.0
   69    67    46    49   0.24250  1.0 3.0
   69    67    46    40   0.04050  1.0 1.0
   69    67    46    40   0.63700 -1.0 2.0
   69    67    46    40   0.17650  1.0 3.0
   69    67    46    51   0.04050  1.0 1.0
   69    67    46    51   0.63700 -1.0 2.0
   69    67    46    51   0.17650  1.0 3.0
   69    71    74    75   0.15000  1.0 3.0
   69    71   -74    76  -0.95700  1.0 1.0
   69    71   -74    76  -0.18200 -1.0 2.0
   69    71   -74    76   0.29450  1.0 3.0
   69    71   -74    40   0.31550 -1.0 2.0
   69    71   -74    40   0.11250  1.0 3.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    73   0.15000  1.0 3.0
   70    69    71    74   0.15000  1.0 3.0
   70    69    78    76   0.08050  1.0 3.0
   71    69   -78    76  -0.25900  1.0 1.0
   71    69   -78    76  -0.47000 -1.0 2.0
   71    69   -78    76   0.11750  1.0 3.0
   71    74    76    77   0.30150 -1.0 2.0
   71    74   -76    78   0.36750  1.0 3.0
   71    74    40    33   0.56750  1.0 1.0
   71    74    40    33  -0.07550 -1.0 2.0
   71    74    40    33   0.20000  1.0 3.0
   71    74    40    44   0.04050  1.0 1.0
   71    74    40    44   0.63700 -1.0 2.0
   71    74    40    44   0.17650  1.0 3.0
   71    74    40    46   0.04050  1.0 1.0
   71    74    40    46   0.63700 -1.0 2.0
   71    74    40    46   0.17650  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76  -0.11250  1.0 3.0
   72    71    74    40   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    76  -0.11250  1.0 3.0
   73    71    74    40   0.15000  1.0 3.0
   74    76   -78    69   1.63150  1.0 1.0
   74    76   -78    69   2.92000 -1.0 2.0
   74    40    44    45   0.15000  1.0 3.0
   74    40    44    51  -0.70950  1.0 1.0
   74    40    44    51   0.38400 -1.0 2.0
   74    40    44    54   0.56750  1.0 1.0
   74    40    44    54  -0.07550 -1.0 2.0
   74    40    44    54   0.20000  1.0 3.0
   74    40    46    49   1.36600  1.0 1.0
   74    40    46    49  -0.11450 -1.0 2.0
   74    40    46    49   0.24250  1.0 3.0
   74    40   -46    67   0.56750  1.0 1.0
   74    40   -46    67  -0.07550 -1.0 2.0
   74    40   -46    67   0.20000  1.0 3.0
   74    40   -46    51  -0.70950  1.0 1.0
   74    40   -46    51   0.38400 -1.0 2.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78   0.00000  1.0 1.0
   75    74    40    33   0.15000  1.0 3.0
   75    74    40    44   0.00000  1.0 1.0
   75    74    40    46   0.00000  1.0 1.0
   76    74    40    33  -0.95700  1.0 1.0
   76    74    40    33  -0.18200 -1.0 2.0
   76    74    40    33   0.29450  1.0 3.0
   76    74    40    44  -0.95700  1.0 1.0
   76    74    40    44  -0.18200 -1.0 2.0
   76    74    40    44   0.29450  1.0 3.0
   76    74    40    46  -0.95700  1.0 1.0
   76    74    40    46  -0.18200 -1.0 2.0
   76    74    40    46   0.29450  1.0 3.0
   77    76    78    69   3.00000 -1.0 2.0
   78    69    71    72   0.23400  1.0 3.0
   78    69    71    73   0.23400  1.0 3.0
   78    69   -71    74   0.62750  1.0 1.0
   78    69   -71    74  -0.30950 -1.0 2.0
   78    69   -71    74   0.27300  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    41   0.31550 -1.0 2.0
   40    33   -38    41   0.11250  1.0 3.0
   40    33    38    47   0.86500  1.0 1.0
   40    33    38    47  -0.17500 -1.0 2.0
   40    33    38    47   0.20800  1.0 3.0
   40    74    76    77   0.30150 -1.0 2.0
   40    74    76    78   0.36750  1.0 3.0
   40    44    51    52   0.15000  1.0 3.0
   40    44    51    53   0.15000  1.0 3.0
   40    44   -51    46   0.00000  1.0 1.0
   40    44    54    55   0.00000  1.0 1.0
   40    44    54    56   0.00000  1.0 1.0
   40    44    54    57   0.00000  1.0 1.0
   44    40    46    49   1.36600  1.0 1.0
   44    40    46    49  -0.11450 -1.0 2.0
   44    40    46    49   0.24250  1.0 3.0
   44    40    46    67  -0.70950  1.0 1.0
   44    40    46    67   0.38400 -1.0 2.0
   44    40   -46    51   0.00000  1.0 1.0
   44    51   -46    49   1.36600  1.0 1.0
   44    51   -46    49  -0.11450 -1.0 2.0
   44    51   -46    49   0.24250  1.0 3.0
   44    51   -46    67  -0.70950  1.0 1.0
   44    51   -46    67   0.38400 -1.0 2.0
   44    51   -46    40   0.00000  1.0 1.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    53   0.15000  1.0 3.0
   45    44    51    46   0.15000  1.0 3.0
   45    44    54    55   0.15000  1.0 3.0
   45    44    54    56   0.15000  1.0 3.0
   45    44    54    57   0.15000  1.0 3.0
   51    44    54    55   0.00000  1.0 1.0
   51    44    54    56   0.00000  1.0 1.0
   51    44    54    57   0.00000  1.0 1.0
   52    51    46    49   0.19200  1.0 3.0
   52    51    46    67   0.15000  1.0 3.0
   52    51   -46    40   0.15000  1.0 3.0
   53    51    46    49   0.19200  1.0 3.0
   53    51    46    67   0.15000  1.0 3.0
   53    51   -46    40   0.15000  1.0 3.0
   46    49    58    59   0.15000  1.0 3.0
   46    49    58    60   0.15000  1.0 3.0
   46    49   -58    61   0.47100  1.0 1.0
   46    67    69    70   0.15000  1.0 3.0
   46    67   -69    71   0.31550 -1.0 2.0
   46    67   -69    71   0.11250  1.0 3.0
   46    67    69    78   0.62750  1.0 1.0
   46    67    69    78  -0.30950 -1.0 2.0
   46    67    69    78   0.27300  1.0 3.0
   46    40   -44    45   0.15000  1.0 3.0
   46    40   -44    51   0.00000  1.0 1.0
   46    40    44    54  -0.70950  1.0 1.0
   46    40    44    54   0.38400 -1.0 2.0
   54    44    51    52   0.15000  1.0 3.0
   54    44    51    53   0.15000  1.0 3.0
   54    44   -51    46  -0.70950  1.0 1.0
   54    44   -51    46   0.38400 -1.0 2.0
   47    38    41    42   0.23400  1.0 3.0
   47    38    41    43   0.23400  1.0 3.0
   47    38    41    49   1.69300  1.0 1.0
   47    38    41    49  -0.48450 -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
   74    78    76    77  10.50000 -1.0 2.0
END
