* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    153    229     443
    1     0 S   NP   _N1_     1    28.39340    96.15079   -20.37493
    2     1 S   H    _HN1     2     1.02791    35.81568   108.07166
    3     1 S   H    _H1_     3     1.02912    95.13309  -138.43069
    4     1 S   H    _H2_     4     1.02883    80.53216   -30.29981
    5     1 S   CT   _CA1     5     1.49974   144.57987    82.41310
    6     5 S   HC   _HA1     6     1.09413   105.00701    77.07924
    7     5 S   CO3  _C1_     7     1.53702   112.85383   -42.43764
    8     7 S   O2Z  _O11     8     1.26365   115.06344   -41.59114
    9     7 S   O2Z  _O12     9     1.26291   114.91226   137.29937
   10     5 S   CT   _CB1    10     1.53109   107.44238  -164.64407
   11    10 S   HC   HB11    11     1.09783   110.11825   -43.91985
   12    10 S   HC   HB12    12     1.09789   110.40130    73.04154
   13    10 S   CT   _CG1    13     1.52722   111.93201  -164.69658
   14    13 S   HC   HG11    14     1.09493   110.18488   -63.41932
   15    13 S   HC   HG12    15     1.09500   109.72112    55.61692
   16    13 S   C    _CD1    16     1.51634   112.70377   176.91130
   17    16 S   O    _OE1    17     1.22726   123.21931    13.87496
   18    16 S   N    _N2_    18     1.38649   111.62317  -167.79361
   19    18 S   H    _HN2    19     1.01566   119.08625     5.58272
   20    18 S   CT1  _CA2    20     1.46305   123.56823  -174.63385
   21    20 S   HC   _HA2    21     1.09729   109.15397     2.87841
   22    20 S   C    _C2_    22     1.53400   108.72086  -112.91086
   23    22 S   O    _O2_    23     1.23048   122.25199  -149.12411
   24    20 S   CT   _CB2    32     1.53805   111.32692   124.24807
   25    24 S   HC   HB21    33     1.09267   109.33708    64.78605
   26    24 S   HC   HB22    34     1.09508   110.40598  -177.21484
   27    22 S   N    _N3_    24     1.38403   113.61803    38.37998
   28    27 S   H    _HN3    25     1.01604   119.41412    -3.36191
   29    24 S   S    _SG2    35     1.83076   110.43352   -57.62008
   30    27 S   CT   _CA3    26     1.45265   123.36189   177.14494
   31    30 S   HC   HA31    27     1.09541   107.67874   -61.57116
   32    30 S   HC   HA32    28     1.09559   107.77320    54.85363
   33    29 S   CT   _C24    36     1.84354   102.33783   151.60883
   34    33 S   OM   _O37    37     1.31891   109.93372  -166.94925
   35    30 S   CO3  _C3_    29     1.52997   114.08818   176.80831
   36    35 S   O2Z  _O31    30     1.26365   116.10733     3.78982
   37    35 S   O2Z  _O32    31     1.26414   114.44874  -176.02187
   38    33 S   CT   _C25    38     1.54435   105.89282    78.12811
   39    38 S   HC   _H24    39     1.09784   111.14910   -64.73017
   40    38 S   HC   _H25    40     1.09982   111.22992   178.58501
   41    38 S   HC   _H26    41     1.09841   113.44377    57.49699
   42    33 S   OS   _O36    42     1.44455   117.11552   -37.40886
   43    42 S   CA   _C21    43     1.36417   125.18369   -57.43022
   44    43 S   CA   _C20    44     1.38756   127.36692    -0.17914
   45    44 S   HA   _H21    45     1.08403   122.15706    -5.13408
   46    44 S   CA   _C19    46     1.40163   120.06284   173.11296
   47    46 S   HA   _H20    47     1.08837   117.73063  -177.51872
   48    46 S   CA   _C18    48     1.41125   122.10676     1.89114
   49    48 S   CA   _C23    49     1.39985   116.66719     3.48785
   50    49 S   HA   _H23    50     1.08387   122.26160   175.28541
   51    48 S   CT   _C7_    53     1.55818   119.15168  -177.36678
   52    43 S   CA   _C22    51     1.39638   114.12614   178.18846
   53    52 S   HA   _H22    52     1.08812   119.82308     3.81670
   54    51 S   CA   _C10    54     1.56085   109.14651    57.59408
   55    51 S   CO4  _C6_    71     1.57855   115.02247   173.02866
   56    55 S   O    _O33    72     1.23439   122.24144   -32.02552
   57    51 S   CT   _C8_    80     1.56966   106.39269   -65.00309
   58    57 S   HC   _H8_    81     1.09828   110.51054    65.43018
   59    57 S   HC   _H9_    82     1.09605   110.89538  -178.66089
   60    54 S   CA   _C11    55     1.40626   123.25464  -130.70947
   61    60 S   HA   _H13    56     1.08581   121.42689     3.17533
   62    55 S   CT   _C5_    73     1.52951   118.17625   154.75276
   63    62 S   HC   _H6_    74     1.09269   109.23870   -70.37480
   64    62 S   HC   _H7_    75     1.09426   108.73520    48.73211
   65    57 S   CT   _C9_    83     1.53060   115.08456   -56.47177
   66    65 S   HC   _H10    84     1.09319   112.10774   -52.07626
   67    65 S   HC   _H11    85     1.09407   111.65400    69.60019
   68    65 S   HC   _H12    86     1.09516   109.67277  -171.84464
   69    60 S   CA   _C12    57     1.40036   121.06252  -175.17602
   70    69 S   HA   _H14    58     1.08599   119.61045   177.90969
   71    62 S   CT   _C4_    76     1.52081   112.62905   168.96233
   72    71 S   HC   _H3_    77     1.09505   111.04072   -59.23055
   73    71 S   HC   _H4_    78     1.09501   111.07716    60.88147
   74    71 S   HC   _H5_    79     1.09438   110.33467  -179.18964
   75    69 S   CA   _C13    59     1.39254   119.59446    -1.01046
   76    75 S   CA   _C14    60     1.38923   120.87702     0.88514
   77    76 S   HA   _H15    61     1.08574   120.76046   178.26528
   78    75 S   OS   _O34    64     1.40254   121.69084   175.23120
   79    54 S   CA   _C15    62     1.41450   118.97790    53.40643
   80    79 S   HA   _H16    63     1.08828   120.49244    -2.67254
   81    78 S   CO4  _C16    65     1.39091   117.00170    63.01327
   82    81 S   O    _O35    66     1.22317   127.18076    -0.96408
   83    81 S   CT   _C17    67     1.49981   108.61336   179.48566
   84    83 S   HC   _H17    68     1.09290   109.94635   -57.50924
   85    83 S   HC   _H18    69     1.09380   109.29973  -176.37161
   86    83 S   HC   _H19    70     1.09276   109.76776    64.42306
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
   9   6   2   1   1   5   3   2   1   7   9   8   4   9   3  15
   7   3  21   1   1  16  14   5   9   5   4   8   4   6   5   4
   3   2   1   1   7   3   3   2   1   1   8   5   3   7   1   1
   5   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    52  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    46    49    52    53  
   44    45    46    47    48    49    50    52    53  
   45    46    47    48    49    52    53    51  
   46    47    48    52  
   47    48    49    50    52    51    54    55    57  
   48    49    51  
   49    50    52    53    51    54    60    79    55    56    62    57    58    59    65  
   50    52    53    51    54    55    57  
   52    53    51  
   54    60    61    69    76    79    80    55    56    62    63    64    71    57    58    59    65    66    67    68    52  
   53  
    0  
   60    61    69    70    75    76    77    79    80    55    56    62    57    58    59    65  
   56    62    63    64    71    72    73    74    57    58    59    65    60    79  
   62    63    64    71    57  
   58    59    65    66    67    68    60    62    79  
   59    65    66    67    68  
   65    66    67    68  
   61    69    70    75    76    79    80    78  
   69    70    75    79  
   63    64    71    72    73    74  
   64    71    72    73    74  
   71    72    73    74  
   66    67    68  
   67    68  
   68  
    0  
   70    75    76    77    79    78    81  
   75    76    78  
   72    73    74  
   73    74  
   74  
    0  
   76    77    79    80    78    81    82    83  
   77    79    80    78    81  
   79    80    78  
   81    82    83    84    85    86    79  
   80  
    0  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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  -0.316400   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   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   570.000  1.307
   33    38   268.000  1.529
   33    42   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    52   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   469.000  1.400
   48    51   317.000  1.510
   49    50   367.000  1.080
   49    52   469.000  1.400
   52    53   367.000  1.080
   51    54   317.000  1.510
   51    55   317.000  1.522
   51    57   268.000  1.529
   54    60   469.000  1.400
   54    79   469.000  1.400
   60    61   367.000  1.080
   60    69   469.000  1.400
   69    70   367.000  1.080
   69    75   469.000  1.400
   75    76   469.000  1.400
   75    78   450.000  1.364
   76    77   367.000  1.080
   76    79   469.000  1.400
   79    80   367.000  1.080
   78    81   214.000  1.327
   81    82   570.000  1.229
   81    83   317.000  1.522
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   55    56   570.000  1.229
   55    62   317.000  1.522
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    75.00000  111.00000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34   110.00000  112.65000
   42    33    38    50.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    52    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    52    49    63.00000  120.00000
   43    52    53    35.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    63.00000  120.00000
   46    48    51    70.00000  120.00000
   48    46    47    35.00000  120.00000
   48    49    50    35.00000  120.00000
   48    49    52    63.00000  120.00000
   48    51    54    70.00000  112.04700
   48    51    55    70.00000  110.93000
   48    51    57    70.00000  112.17500
   49    52    53    35.00000  120.00000
   52    43    44    63.00000  120.00000
   52    49    50    35.00000  120.00000
   51    48    49    70.00000  120.00000
   51    54    60    70.00000  120.00000
   51    54    79    70.00000  120.00000
   51    55    56    80.00000  120.40000
   51    55    62    70.00000  116.00000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    65    58.35000  112.70000
   54    60    61    35.00000  120.00000
   54    60    69    63.00000  120.00000
   54    79    76    63.00000  120.00000
   54    79    80    35.00000  120.00000
   60    69    70    35.00000  120.00000
   60    69    75    63.00000  120.00000
   69    60    61    35.00000  120.00000
   69    75    76    63.00000  120.00000
   69    75    78    70.00000  120.00000
   75    69    70    35.00000  120.00000
   75    76    77    35.00000  120.00000
   75    76    79    63.00000  120.00000
   75    78    81    85.00000  115.98000
   76    79    80    35.00000  120.00000
   79    54    60    63.00000  120.00000
   79    76    77    35.00000  120.00000
   78    75    76    70.00000  120.00000
   78    81    82    83.00000  123.40000
   78    81    83    81.00000  111.40000
   81    83    84    35.00000  109.50000
   81    83    85    35.00000  109.50000
   81    83    86    35.00000  109.50000
   83    81    82    80.00000  120.40000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   55    51    54    70.00000  110.93000
   55    62    63    35.00000  109.50000
   55    62    64    35.00000  109.50000
   55    62    71    63.00000  111.10000
   62    55    56    80.00000  120.40000
   62    71    72    37.50000  110.70000
   62    71    73    37.50000  110.70000
   62    71    74    37.50000  110.70000
   64    62    63    33.00000  107.80000
   71    62    63    37.50000  110.70000
   71    62    64    37.50000  110.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   57    51    54    70.00000  112.17500
   57    51    55    63.00000  111.10000
   57    65    66    37.50000  110.70000
   57    65    67    37.50000  110.70000
   57    65    68    37.50000  110.70000
   59    57    58    33.00000  107.80000
   65    57    58    37.50000  110.70000
   65    57    59    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    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   0.13850  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    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  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    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.14700  1.0 1.0
   29    33    42    43  -1.16150 -1.0 2.0
   29    33    42    43   0.48700  1.0 3.0
   33    42    43    44   1.63200 -1.0 2.0
   33    42    43    52   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43  -0.25600  1.0 1.0
   34    33    42    43  -0.40050 -1.0 2.0
   34    33    42    43   0.34700  1.0 3.0
   38    33    42    43  -0.32850  1.0 1.0
   38    33    42    43  -0.35800 -1.0 2.0
   38    33    42    43   0.33950  1.0 3.0
   42    33    38    39   0.23400  1.0 3.0
   42    33    38    40   0.23400  1.0 3.0
   42    33    38    41   0.23400  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    46   3.62500 -1.0 2.0
   42    43    52    49   3.62500 -1.0 2.0
   42    43    52    53   3.62500 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44    46    48   3.62500 -1.0 2.0
   44    43    52    49   3.62500 -1.0 2.0
   44    43    52    53   3.62500 -1.0 2.0
   44    46   -48    49   3.62500 -1.0 2.0
   44    46    48    51   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    49    50   3.62500 -1.0 2.0
   46    48    49    52   3.62500 -1.0 2.0
   46    48    51    54   0.04300 -1.0 2.0
   46    48    51    55   0.04300 -1.0 2.0
   46    48    51    57   0.04150 -1.0 2.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    51   3.62500 -1.0 2.0
   48    49   -52    43   3.62500 -1.0 2.0
   48    49    52    53   3.62500 -1.0 2.0
   48    51    54    60   0.04300 -1.0 2.0
   48    51    54    79   0.04300 -1.0 2.0
   48    51    55    56   0.30150 -1.0 2.0
   48    51    55    62   0.65300  1.0 1.0
   48    51    55    62  -0.03850 -1.0 2.0
   48    51    55    62   0.33900  1.0 3.0
   48    51    57    58   0.43200  1.0 3.0
   48    51    57    59   0.43200  1.0 3.0
   48    51    57    65  -0.03700  1.0 1.0
   48    51    57    65   0.37200 -1.0 2.0
   48    51    57    65  -0.47300  1.0 3.0
   49    48    51    54   0.04300 -1.0 2.0
   49    48    51    55   0.04300 -1.0 2.0
   49    48    51    57   0.04150 -1.0 2.0
   50    49    52    43   3.62500 -1.0 2.0
   50    49    52    53   3.62500 -1.0 2.0
   52    43    44    45   3.62500 -1.0 2.0
   52    43   -44    46   3.62500 -1.0 2.0
   51    48    49    50   3.62500 -1.0 2.0
   51    48    49    52   3.62500 -1.0 2.0
   51    54    60    61   3.62500 -1.0 2.0
   51    54    60    69   3.62500 -1.0 2.0
   51    54    79    76   3.62500 -1.0 2.0
   51    54    79    80   3.62500 -1.0 2.0
   51    55    62    63   0.00000  1.0 1.0
   51    55    62    64   0.00000  1.0 1.0
   51    55    62    71   0.60050  1.0 1.0
   51    55    62    71   0.05600 -1.0 2.0
   51    55    62    71   0.26150  1.0 3.0
   51    57    65    66   0.15000  1.0 3.0
   51    57    65    67   0.15000  1.0 3.0
   51    57    65    68   0.15000  1.0 3.0
   54    51    55    56   0.30150 -1.0 2.0
   54    51    55    62   0.65300  1.0 1.0
   54    51    55    62  -0.03850 -1.0 2.0
   54    51    55    62   0.33900  1.0 3.0
   54    51    57    58   0.43200  1.0 3.0
   54    51    57    59   0.43200  1.0 3.0
   54    51    57    65  -0.03700  1.0 1.0
   54    51    57    65   0.37200 -1.0 2.0
   54    51    57    65  -0.47300  1.0 3.0
   54    60    69    70   3.62500 -1.0 2.0
   54    60    69    75   3.62500 -1.0 2.0
   60    54    79    76   3.62500 -1.0 2.0
   60    54    79    80   3.62500 -1.0 2.0
   60    69   -75    76   3.62500 -1.0 2.0
   60    69    75    78   3.62500 -1.0 2.0
   61    60    69    70   3.62500 -1.0 2.0
   61    60    69    75   3.62500 -1.0 2.0
   69    75    76    77   3.62500 -1.0 2.0
   69    75    76    79   3.62500 -1.0 2.0
   69    75    78    81   0.01300  1.0 1.0
   69    75    78    81   0.97950 -1.0 2.0
   69    75    78    81  -0.55700  1.0 3.0
   70    69    75    76   3.62500 -1.0 2.0
   70    69    75    78   3.62500 -1.0 2.0
   75    76   -79    54   3.62500 -1.0 2.0
   75    76    79    80   3.62500 -1.0 2.0
   75    78    81    82   3.00000 -1.0 2.0
   75    78    81    83   0.75600  1.0 1.0
   75    78    81    83   1.63000 -1.0 2.0
   76    75    78    81   0.01300  1.0 1.0
   76    75    78    81   0.97950 -1.0 2.0
   76    75    78    81  -0.55700  1.0 3.0
   77    76    79    54   3.62500 -1.0 2.0
   77    76    79    80   3.62500 -1.0 2.0
   79    54    60    61   3.62500 -1.0 2.0
   79    54   -60    69   3.62500 -1.0 2.0
   78    75    76    77   3.62500 -1.0 2.0
   78    75    76    79   3.62500 -1.0 2.0
   78    81    83    84   0.00000  1.0 1.0
   78    81    83    85   0.00000  1.0 1.0
   78    81    83    86   0.00000  1.0 1.0
   82    81    83    84   0.00000  1.0 1.0
   82    81    83    85   0.00000  1.0 1.0
   82    81    83    86   0.00000  1.0 1.0
   55    51    54    60   0.04300 -1.0 2.0
   55    51    54    79   0.04300 -1.0 2.0
   55    51    57    58  -0.11250  1.0 3.0
   55    51    57    59  -0.11250  1.0 3.0
   55    51    57    65  -0.95700  1.0 1.0
   55    51    57    65  -0.18200 -1.0 2.0
   55    51    57    65   0.29450  1.0 3.0
   55    62    71    72  -0.11250  1.0 3.0
   55    62    71    73  -0.11250  1.0 3.0
   55    62    71    74  -0.11250  1.0 3.0
   56    55    62    63   0.00000  1.0 1.0
   56    55    62    64   0.00000  1.0 1.0
   56    55    62    71   0.30150 -1.0 2.0
   63    62    71    72   0.15000  1.0 3.0
   63    62    71    73   0.15000  1.0 3.0
   63    62    71    74   0.15000  1.0 3.0
   64    62    71    72   0.15000  1.0 3.0
   64    62    71    73   0.15000  1.0 3.0
   64    62    71    74   0.15000  1.0 3.0
   57    51    54    60   0.04150 -1.0 2.0
   57    51    54    79   0.04150 -1.0 2.0
   57    51    55    56   0.30150 -1.0 2.0
   57    51    55    62   0.60050  1.0 1.0
   57    51    55    62   0.05600 -1.0 2.0
   57    51    55    62   0.26150  1.0 3.0
   58    57    65    66   0.15000  1.0 3.0
   58    57    65    67   0.15000  1.0 3.0
   58    57    65    68   0.15000  1.0 3.0
   59    57    65    66   0.15000  1.0 3.0
   59    57    65    67   0.15000  1.0 3.0
   59    57    65    68   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   44    52    43    42   4.00000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   49    51    48    46   4.00000 -1.0 2.0
   52    50    49    48   1.10000 -1.0 2.0
   49    53    52    43   1.10000 -1.0 2.0
   60    79    54    51   4.00000 -1.0 2.0
   69    61    60    54   1.10000 -1.0 2.0
   75    70    69    60   1.10000 -1.0 2.0
   76    78    75    69   4.00000 -1.0 2.0
   79    77    76    75   1.10000 -1.0 2.0
   76    80    79    54   1.10000 -1.0 2.0
   78    83    81    82  10.50000 -1.0 2.0
   51    62    55    56  10.50000 -1.0 2.0
END
