* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    141    233     420
    1     0 S   NP   _N1_     1    28.54690    94.25417   -23.95434
    2     1 S   H    _HN1     2     1.02785   106.44989  -135.07144
    3     1 S   H    _H1_     3     1.02944    95.30437   -24.09242
    4     1 S   H    _H2_     4     1.02826    13.60371   126.80746
    5     1 S   CT   _CA1     5     1.50175   122.39321    94.16162
    6     5 S   HC   _HA1     6     1.09572   105.15081    67.24864
    7     5 S   CO3  _C1_     7     1.53809   112.18180   -52.99332
    8     7 S   O2Z  _O11     8     1.26406   114.93663   -44.48359
    9     7 S   O2Z  _O12     9     1.26187   115.00809   134.13064
   10     5 S   CT   _CB1    10     1.53076   107.37564  -174.65841
   11    10 S   HC   HB11    11     1.09840   109.52762   -46.47771
   12    10 S   HC   HB12    12     1.09796   110.55201    70.26482
   13    10 S   CT   _CG1    13     1.52973   112.43756  -167.18343
   14    13 S   HC   HG11    14     1.09558   110.90320   -64.90155
   15    13 S   HC   HG12    15     1.09534   109.29224    54.41299
   16    13 S   C    _CD1    16     1.51774   112.09379   174.35830
   17    16 S   O    _OE1    17     1.22775   123.11503    10.41407
   18    16 S   N    _N2_    18     1.38702   111.89214  -169.31806
   19    18 S   H    _HN2    19     1.01486   119.16092     0.71873
   20    18 S   CT1  _CA2    20     1.46240   123.19096   178.02187
   21    20 S   HC   _HA2    21     1.09731   108.73296    13.49904
   22    20 S   C    _C2_    22     1.53830   110.38829  -102.47775
   23    22 S   O    _O2_    23     1.23137   121.73371  -163.28452
   24    20 S   CT   _CB2    32     1.53649   111.98411   134.93138
   25    24 S   HC   HB21    33     1.09368   109.20821    63.29946
   26    24 S   HC   HB22    34     1.09453   109.56953  -178.01298
   27    22 S   N    _N3_    24     1.38127   114.58929    22.53137
   28    27 S   H    _HN3    25     1.01509   119.44267    -2.91987
   29    24 S   S    _SG2    35     1.82788   111.32958   -56.78472
   30    27 S   CT   _CA3    26     1.45260   123.53087   177.01220
   31    30 S   HC   HA31    27     1.09531   107.38901   -70.23818
   32    30 S   HC   HA32    28     1.09516   108.30202    46.25923
   33    29 S   CT   _C20    36     1.84501   103.19355  -169.49676
   34    33 S   OM   _O39    37     1.31981   111.26713    69.31419
   35    30 S   CO3  _C3_    29     1.52960   113.87708   168.79062
   36    35 S   O2Z  _O31    30     1.26393   116.05301     8.78691
   37    35 S   O2Z  _O32    31     1.26405   114.47417  -171.10751
   38    33 S   CM   _C21    38     1.52063   107.71755  -169.84487
   39    33 S   CO4  _C19    69     1.53935   110.84264   -47.84973
   40    39 S   O    _O36    70     1.23956   122.18786    76.98988
   41    38 S   CMA  _C22    39     1.36194   125.24100    92.39476
   42    41 S   OM   _O37    40     1.27004   130.02679   179.24050
   43    38 S   C    _C23    73     1.50994   118.07488   -84.63837
   44    43 S   O    _O38    74     1.22728   122.45751    63.54910
   45    41 S   CT   _C16    41     1.57683   117.60630     0.75433
   46    43 S   N    _N4_    75     1.37565   113.62438  -114.67369
   47    46 S   H    _H12    76     1.01398   121.52584    -2.95174
   48    46 S   H    _H13    77     1.01213   120.63051   179.44468
   49    45 S   CMA  _C15    42     1.58143   116.63800   -87.80060
   50    49 S   OM   _O35    43     1.26730   111.81986   -40.73378
   51    45 S   OH   _O40    71     1.45671   109.28148   152.91913
   52    51 S   HO   _H14    72     0.97454   104.71911    43.14635
   53    49 S   CM   _C7_    44     1.36420   118.83484   140.83219
   54    53 S   CM   _C6_    45     1.45954   124.90927     1.29634
   55    54 S   CM   _C5_    46     1.35406   121.53435  -164.52158
   56    54 S   CT   _C18    64     1.51075   114.67768    15.43106
   57    56 S   HC   _H10    65     1.09721   109.42347    74.85080
   58    56 S   HC   _H11    66     1.09503   112.32889  -167.56075
   59    55 S   CA   _C10    47     1.49816   119.62876     8.29410
   60    55 S   CT   _C4_    60     1.50694   120.95505  -168.52482
   61    60 S   HC   _H4_    61     1.09391   111.21376   -91.82758
   62    60 S   HC   _H5_    62     1.09557   111.86883    28.74426
   63    60 S   HC   _H6_    63     1.09513   111.52027   144.92639
   64    45 S   CT   _C17    67     1.54361   108.31652    40.33626
   65    64 S   HC   _H3_    68     1.10017   109.00375    66.11096
   66    59 S   CA   _C9_    48     1.41525   118.04408   -23.76801
   67    53 S   CO4  _C8_    49     1.50336   119.59578   175.97834
   68    67 S   O    _O34    50     1.22470   124.17396   -30.18154
   69    66 S   CA   _C14    51     1.40707   121.18219  -174.20404
   70    69 S   CA   _C13    52     1.38752   120.56697    -2.24550
   71    70 S   HA   _H8_    53     1.08651   120.72966  -179.17623
   72    69 S   OH   _O33    58     1.36871   123.79386   179.38103
   73    72 S   HO   _H9_    59     0.97445   109.35452    -0.27976
   74    70 S   CA   _C12    54     1.38653   119.37778    -1.75469
   75    74 S   HA   _H7_    55     1.08817   118.59277  -176.75303
   76    59 S   CA   _C11    56     1.41604   125.29372   156.36554
   77    76 S   Cl   Cl1_    57     1.73395   124.19529   -10.07574
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  13  12   4  13   5   5   3  12   2   1   1
  12   5   5   1  12  15  15   7   3   2  14   5   2   1   1   1
   1  10   5   1   7   7   4   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    64    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    56    64    65    39    40    43    44    46  
   38    41    64    39    40    43  
   36    37  
   37  
    0  
   41    42    45    49    64    39    40    51    43    44    46    47    48  
   40    51    43    41    45    49    54    56    57    58    64    65  
   45    56    64    65  
   42    45    49    50    53    56    64    65    51    52    43    44    46  
   45    49    64    51    43  
   44    46    47    48    45  
   46    47    48  
   49    50    53    54    67    56    57    58    64    65    51    52  
   47    48  
   48  
    0  
   50    53    54    55    66    67    68    56    64    65    51    52  
   53    54    67    64    51  
   52    53    56    64    65  
   64  
   54    55    59    66    67    68    69    60    56    57    58    64  
   55    59    66    67    68    76    60    61    62    63    56    57    58    64    65  
   59    66    67    69    74    76    77    60    61    62    63    56    57    58    64  
   57    58    64    65    59    60    67  
   58    64    65  
   64    65  
   66    67    68    69    70    74    75    76    77    72    60    61    62    63  
   61    62    63    66    76  
   62    63  
   63  
    0  
   65  
    0  
   67    68    69    70    71    74    76    77    72    73  
   68    69    70    76    72  
   69  
   70    71    74    75    76    72    73  
   71    74    75    76    77    72    73  
   74    75    76    72  
   73    74  
    0  
   75    76    77  
   76    77  
   77  
    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   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   45   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   47   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   48   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   50   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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   317.000  1.510
   33    39   317.000  1.522
   38    41   465.000  1.376
   38    43   410.000  1.444
   41    42   745.000  1.250
   41    45   270.000  1.512
   45    49   270.000  1.512
   45    64   268.000  1.529
   45    51   320.000  1.410
   49    50   745.000  1.250
   49    53   465.000  1.376
   53    54   380.000  1.444
   53    67   320.000  1.462
   54    55   549.000  1.340
   54    56   317.000  1.510
   55    59   320.000  1.460
   55    60   317.000  1.510
   59    66   469.000  1.400
   59    76   469.000  1.400
   66    67   310.000  1.470
   66    69   469.000  1.400
   67    68   570.000  1.229
   69    70   469.000  1.400
   69    72   450.000  1.364
   70    71   367.000  1.080
   70    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   300.000  1.725
   72    73   553.000  0.945
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    64   268.000  1.529
   64    65   340.000  1.090
   64    39   317.000  1.522
   39    40   570.000  1.229
   51    52   553.000  0.945
   43    44   570.000  1.229
   43    46   490.000  1.335
   46    47   434.000  1.010
   46    48   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  112.20000
   29    33    39    75.00000  110.18000
   33    38    41    70.00000  124.00000
   33    38    43    70.00000  119.70000
   33    39    64    70.00000  116.00000
   33    39    40    80.00000  120.40000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    45    65.00000  122.18000
   38    43    44    80.00000  125.30000
   38    43    46    80.00000  111.56200
   41    45    49    70.00000  110.12100
   41    45    64    70.00000  112.02700
   41    45    51    90.00000  110.39200
   45    41    42    85.00000  112.85300
   45    49    50    85.00000  112.85300
   45    49    53    65.00000  122.18000
   45    64    56    58.35000  112.70000
   45    64    65    37.50000  110.70000
   45    64    39    63.00000  111.10000
   45    51    52    55.00000  108.50000
   49    53    54    70.00000  117.34000
   49    53    67    60.00000  125.92000
   53    49    50    65.00000  137.10300
   53    54    55    70.00000  123.01800
   53    54    56    70.00000  124.00000
   53    67    66    65.00000  117.02400
   53    67    68    80.00000  123.72100
   54    55    59    60.00000  123.20500
   54    55    60    70.00000  124.00000
   54    56    57    35.00000  109.50000
   54    56    58    35.00000  109.50000
   54    56    64    70.00000  112.02700
   55    59    66    60.00000  120.93500
   55    59    76    60.00000  120.93500
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   55    60    63    35.00000  109.50000
   59    66    67    60.00000  119.52600
   59    66    69    63.00000  120.00000
   59    76    74    63.00000  120.00000
   59    76    77    75.00000  120.00000
   66    67    68    75.00000  123.78400
   66    69    70    63.00000  120.00000
   66    69    72    70.00000  120.00000
   67    53    54    65.00000  118.96000
   69    66    67    60.00000  119.52600
   69    70    71    35.00000  120.00000
   69    70    74    63.00000  120.00000
   69    72    73    35.00000  113.00000
   70    74    75    35.00000  120.00000
   70    74    76    63.00000  120.00000
   74    70    71    35.00000  120.00000
   74    76    77    75.00000  120.00000
   76    59    66    63.00000  120.00000
   76    74    75    35.00000  120.00000
   72    69    70    70.00000  120.00000
   60    55    59    65.00000  118.87000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   56    54    55    70.00000  124.00000
   56    64    65    37.50000  110.70000
   56    64    39    63.00000  111.10000
   58    56    57    33.00000  107.80000
   64    45    49    70.00000  112.02700
   64    56    57    37.50000  110.70000
   64    56    58    37.50000  110.70000
   64    39    40    80.00000  120.40000
   39    33    34    90.00000  108.74100
   39    33    38    70.00000  109.06800
   39    64    65    35.00000  109.50000
   51    45    49    90.00000  110.39200
   51    45    64    50.00000  109.50000
   43    38    41    60.00000  120.04000
   43    46    47    35.00000  119.80000
   43    46    48    35.00000  119.80000
   46    43    44    80.00000  122.90000
   48    46    47    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    43   0.09700  1.0 1.0
   29    33    38    43   0.15600 -1.0 2.0
   29    33    38    43  -0.50800  1.0 3.0
   29    33    39    64   0.65300  1.0 1.0
   29    33    39    64  -0.03850 -1.0 2.0
   29    33    39    64   0.33900  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   33    38    43    44  -0.64400  1.0 1.0
   33    38    43    44   0.26850 -1.0 2.0
   33    38    43    46   1.59650  1.0 1.0
   33    38    43    46   0.42750 -1.0 2.0
   33    38    43    46  -0.48350  1.0 3.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    43   0.09700  1.0 1.0
   34    33    38    43   0.15600 -1.0 2.0
   34    33    38    43  -0.50800  1.0 3.0
   34    33    39    64   0.55300  1.0 1.0
   34    33    39    64   1.25850 -1.0 2.0
   34    33    39    64  -0.23600  1.0 3.0
   34    33    39    40   0.30150 -1.0 2.0
   38    33    39    64   0.65300  1.0 1.0
   38    33    39    64  -0.03850 -1.0 2.0
   38    33    39    64   0.33900  1.0 3.0
   38    33    39    40   0.30150 -1.0 2.0
   38    41    45    49  -0.28300  1.0 1.0
   38    41    45    49   0.26700 -1.0 2.0
   38    41    45    49  -0.63300  1.0 3.0
   38    41   -45    64   0.09850  1.0 1.0
   38    41   -45    64   0.15250 -1.0 2.0
   38    41   -45    64  -0.50650  1.0 3.0
   38    41    45    51   0.67800  1.0 1.0
   38    41    45    51   0.47050 -1.0 2.0
   38    41    45    51  -0.62500  1.0 3.0
   38    43    46    47   2.56700 -1.0 2.0
   38    43    46    48   2.56700 -1.0 2.0
   41    38    43    44   1.00000 -1.0 2.0
   41    38    43    46   0.49500  1.0 1.0
   41    38    43    46   1.31600 -1.0 2.0
   41    38    43    46  -0.02300  1.0 3.0
   41    45    49    50   0.09700  1.0 1.0
   41    45    49    50   0.15600 -1.0 2.0
   41    45    49    50  -0.50800  1.0 3.0
   41    45    49    53  -0.28300  1.0 1.0
   41    45    49    53   0.26700 -1.0 2.0
   41    45    49    53  -0.63300  1.0 3.0
   41    45    64    56   0.34400  1.0 1.0
   41    45    64    56   0.09450 -1.0 2.0
   41    45    64    56   0.11100  1.0 3.0
   41    45    64    65   0.15000  1.0 3.0
   41    45    64    39  -0.98800  1.0 1.0
   41    45    64    39   0.48800 -1.0 2.0
   41    45    64    39   0.76800  1.0 3.0
   41    45    51    52  -0.07800  1.0 1.0
   41    45    51    52  -0.21500 -1.0 2.0
   41    45    51    52  -0.03150  1.0 3.0
   42    41    45    49   0.09700  1.0 1.0
   42    41    45    49   0.15600 -1.0 2.0
   42    41    45    49  -0.50800  1.0 3.0
   42    41    45    64   0.09700  1.0 1.0
   42    41    45    64   0.15600 -1.0 2.0
   42    41    45    64  -0.50800  1.0 3.0
   42    41    45    51   0.09700  1.0 1.0
   42    41    45    51   0.15600 -1.0 2.0
   42    41    45    51  -0.50800  1.0 3.0
   45    49    53    54   7.00000 -1.0 2.0
   45    49    53    67   7.00000 -1.0 2.0
   45    64   -39    33   0.60050  1.0 1.0
   45    64   -39    33   0.05600 -1.0 2.0
   45    64   -39    33   0.26150  1.0 3.0
   45    64    39    40   0.30150 -1.0 2.0
   49    45    64    56   0.34400  1.0 1.0
   49    45    64    56   0.09450 -1.0 2.0
   49    45    64    56   0.11100  1.0 3.0
   49    45    64    65   0.15000  1.0 3.0
   49    45    64    39  -0.98800  1.0 1.0
   49    45    64    39   0.48800 -1.0 2.0
   49    45    64    39   0.76800  1.0 3.0
   49    45    51    52  -0.07800  1.0 1.0
   49    45    51    52  -0.21500 -1.0 2.0
   49    45    51    52  -0.03150  1.0 3.0
   49    53    54    55   0.28850  1.0 1.0
   49    53    54    55   2.61350 -1.0 2.0
   49    53    54    55   0.78400  1.0 3.0
   49    53   -54    56  -0.18600  1.0 3.0
   49    53    67    66  -1.65800  1.0 1.0
   49    53    67    66   0.77650 -1.0 2.0
   49    53    67    68   1.00000 -1.0 2.0
   50    49    53    54   7.00000 -1.0 2.0
   50    49    53    67   7.00000 -1.0 2.0
   53    54    55    59   7.00000 -1.0 2.0
   53    54    55    60   7.00000 -1.0 2.0
   53    54    56    57   0.00000  1.0 1.0
   53    54    56    58   0.00000  1.0 1.0
   53    54    56    64   0.98200  1.0 1.0
   53    54    56    64  -0.11900 -1.0 2.0
   53    54    56    64   0.24250  1.0 3.0
   54    53    67    66  -1.65800  1.0 1.0
   54    53    67    66   0.77650 -1.0 2.0
   54    53    67    68   1.00000 -1.0 2.0
   54    55   -59    66   0.15800  1.0 1.0
   54    55   -59    66   1.85350 -1.0 2.0
   54    55   -59    66  -0.48700  1.0 3.0
   54    55    59    76   0.15800  1.0 1.0
   54    55    59    76   1.85350 -1.0 2.0
   54    55    59    76  -0.48700  1.0 3.0
   54    55    60    61   0.00000  1.0 1.0
   54    55    60    62   0.00000  1.0 1.0
   54    55    60    63   0.00000  1.0 1.0
   54    56   -64    45   0.34400  1.0 1.0
   54    56   -64    45   0.09450 -1.0 2.0
   54    56   -64    45   0.11100  1.0 3.0
   54    56    64    65   0.15000  1.0 3.0
   54    56    64    39  -0.98800  1.0 1.0
   54    56    64    39   0.48800 -1.0 2.0
   54    56    64    39   0.76800  1.0 3.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    58   0.00000  1.0 1.0
   55    54    56    64   0.09850  1.0 1.0
   55    54    56    64   0.15250 -1.0 2.0
   55    54    56    64  -0.50650  1.0 3.0
   55    59    66    67   3.62500 -1.0 2.0
   55    59    66    69   3.62500 -1.0 2.0
   55    59    76    74   3.62500 -1.0 2.0
   55    59    76    77   3.62500 -1.0 2.0
   59    55    60    61   0.77000  1.0 3.0
   59    55    60    62   0.77000  1.0 3.0
   59    55    60    63   0.77000  1.0 3.0
   59    66   -67    53  -0.11500  1.0 1.0
   59    66   -67    53   1.10450 -1.0 2.0
   59    66   -67    53  -0.48050  1.0 3.0
   59    66    67    68   1.05000 -1.0 2.0
   59    66    69    70   3.62500 -1.0 2.0
   59    66    69    72   3.62500 -1.0 2.0
   66    59    76    74   3.62500 -1.0 2.0
   66    59    76    77   3.62500 -1.0 2.0
   66    69    70    71   3.62500 -1.0 2.0
   66    69   -70    74   3.62500 -1.0 2.0
   66    69    72    73   0.84100 -1.0 2.0
   67    53   -54    55  -0.18600  1.0 3.0
   67    53    54    56   1.08500 -1.0 2.0
   67    66    69    70   3.62500 -1.0 2.0
   67    66    69    72   3.62500 -1.0 2.0
   69    66    67    53  -0.11500  1.0 1.0
   69    66    67    53   1.10450 -1.0 2.0
   69    66    67    53  -0.48050  1.0 3.0
   69    66    67    68   1.05000 -1.0 2.0
   69    70    74    75   3.62500 -1.0 2.0
   69    70    74    76   3.62500 -1.0 2.0
   70    69    72    73   0.84100 -1.0 2.0
   70    74   -76    59   3.62500 -1.0 2.0
   70    74    76    77   3.62500 -1.0 2.0
   71    70    74    75   3.62500 -1.0 2.0
   71    70    74    76   3.62500 -1.0 2.0
   75    74    76    59   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   76    59    66    67   3.62500 -1.0 2.0
   76    59   -66    69   3.62500 -1.0 2.0
   72    69    70    71   3.62500 -1.0 2.0
   72    69    70    74   3.62500 -1.0 2.0
   60    55    59    66  -0.02500  1.0 1.0
   60    55    59    66  -0.32150 -1.0 2.0
   60    55    59    66  -0.01500  1.0 3.0
   60    55    59    76  -0.02500  1.0 1.0
   60    55    59    76  -0.32150 -1.0 2.0
   60    55    59    76  -0.01500  1.0 3.0
   56    54    55    59   7.00000 -1.0 2.0
   56    54    55    60   7.00000 -1.0 2.0
   56    64    39    33   0.60050  1.0 1.0
   56    64    39    33   0.05600 -1.0 2.0
   56    64    39    33   0.26150  1.0 3.0
   56    64    39    40   0.30150 -1.0 2.0
   57    56    64    45   0.15000  1.0 3.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    39  -0.11250  1.0 3.0
   58    56    64    45   0.15000  1.0 3.0
   58    56    64    65   0.15000  1.0 3.0
   58    56    64    39  -0.11250  1.0 3.0
   64    45    49    50   0.09700  1.0 1.0
   64    45    49    50   0.15600 -1.0 2.0
   64    45    49    50  -0.50800  1.0 3.0
   64    45   -49    53   0.09850  1.0 1.0
   64    45   -49    53   0.15250 -1.0 2.0
   64    45   -49    53  -0.50650  1.0 3.0
   64    45    51    52  -0.11600  1.0 1.0
   64    45    51    52  -0.09450 -1.0 2.0
   64    45    51    52   0.21250  1.0 3.0
   65    64    39    33   0.00000  1.0 1.0
   65    64    39    40   0.00000  1.0 1.0
   39    33   -38    41  -0.51250  1.0 1.0
   39    33   -38    41  -0.88800 -1.0 2.0
   39    33   -38    41   0.08850  1.0 3.0
   39    33    38    43   0.09700  1.0 1.0
   39    33    38    43   0.15600 -1.0 2.0
   39    33    38    43  -0.50800  1.0 3.0
   51    45    49    50   0.09700  1.0 1.0
   51    45    49    50   0.15600 -1.0 2.0
   51    45    49    50  -0.50800  1.0 3.0
   51    45    49    53   0.67800  1.0 1.0
   51    45    49    53   0.47050 -1.0 2.0
   51    45    49    53  -0.62500  1.0 3.0
   51    45    64    56   0.86500  1.0 1.0
   51    45    64    56  -0.17500 -1.0 2.0
   51    45    64    56   0.20800  1.0 3.0
   51    45    64    65   0.23400  1.0 3.0
   51    45    64    39  -0.09450  1.0 1.0
   51    45    64    39  -1.12950 -1.0 2.0
   51    45    64    39   0.54000  1.0 3.0
   43    38    41    42   7.00000 -1.0 2.0
   43    38    41    45   7.00000 -1.0 2.0
   44    43    46    47   2.45000 -1.0 2.0
   44    43    46    48   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
   33    43    38    41   1.10000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   45    50    49    53   1.10000 -1.0 2.0
   54    67    53    49   1.10000 -1.0 2.0
   53    56    54    55   1.10000 -1.0 2.0
   59    60    55    54   1.10000 -1.0 2.0
   66    76    59    55   4.00000 -1.0 2.0
   67    69    66    59   4.00000 -1.0 2.0
   53    66    67    68  10.50000 -1.0 2.0
   70    72    69    66   4.00000 -1.0 2.0
   74    71    70    69   1.10000 -1.0 2.0
   76    75    74    70   1.10000 -1.0 2.0
   74    77    76    59   4.00000 -1.0 2.0
   33    64    39    40  10.50000 -1.0 2.0
   38    46    43    44  10.50000 -1.0 2.0
   48    43    46    47   1.00000 -1.0 2.0
END
