* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    160    256     478
    1     0 S   NP   _N1_     1    28.82061    97.94795   -23.55804
    2     1 S   H    _HN1     2     1.02835    37.54472   157.71091
    3     1 S   H    _H1_     3     1.02776   112.10542  -111.38026
    4     1 S   H    _H2_     4     1.02957    70.43460    -8.89709
    5     1 S   CT   _CA1     5     1.50127   132.33690    91.25408
    6     5 S   HC   _HA1     6     1.09574   105.21502    95.83351
    7     5 S   CO3  _C1_     7     1.53786   112.39925   -24.35844
    8     7 S   O2Z  _O11     8     1.26366   114.99608   -43.14542
    9     7 S   O2Z  _O12     9     1.26238   114.93179   135.99251
   10     5 S   CT   _CB1    10     1.53100   107.42738  -146.24385
   11    10 S   HC   HB11    11     1.09826   109.32879   -50.49949
   12    10 S   HC   HB12    12     1.09816   110.42148    66.05743
   13    10 S   CT   _CG1    13     1.53014   112.67505  -171.57811
   14    13 S   HC   HG11    14     1.09593   110.48726   -64.48983
   15    13 S   HC   HG12    15     1.09657   109.92352    54.71259
   16    13 S   C    _CD1    16     1.51832   112.33823   175.08108
   17    16 S   O    _OE1    17     1.22750   123.32511     0.15826
   18    16 S   N    _N2_    18     1.38577   111.70880  -179.82196
   19    18 S   H    _HN2    19     1.01554   118.99678     4.39721
   20    18 S   CT1  _CA2    20     1.45764   122.80617   177.94519
   21    20 S   HC   _HA2    21     1.09712   108.97871    24.20813
   22    20 S   C    _C2_    22     1.52969   107.02094   -93.09882
   23    22 S   O    _O2_    23     1.22992   122.92136   -28.06046
   24    20 S   CT   _CB2    32     1.53055   112.33300   147.46807
   25    24 S   HC   HB21    33     1.09576   110.03919    55.14574
   26    24 S   HC   HB22    34     1.09455   109.65269   174.03481
   27    22 S   N    _N3_    24     1.38648   112.56999   155.08406
   28    27 S   H    _HN3    25     1.01518   119.82122     1.00600
   29    24 S   S    _SG2    35     1.82508   111.73822   -65.34814
   30    27 S   CT   _CA3    26     1.45431   122.48285   178.43765
   31    30 S   HC   HA31    27     1.09580   108.15079    41.85147
   32    30 S   HC   HA32    28     1.09470   107.26511   158.67612
   33    29 S   CT   _C10    36     1.84567    99.61491  -179.80617
   34    33 S   HC   _H3_    37     1.09322   105.15285   -48.95828
   35    30 S   CO3  _C3_    29     1.52902   114.52390   -80.63748
   36    35 S   O2Z  _O31    30     1.26421   114.62077   155.21796
   37    35 S   O2Z  _O32    31     1.26386   116.33392   -24.59728
   38    33 S   CA   _C7_    38     1.52113   110.69315  -165.04351
   39    33 S   CM   _C11    49     1.50999   110.04058    70.57865
   40    39 S   HC   _H11    50     1.09189   115.37738    48.51473
   41    38 S   CA   _C6_    39     1.40461   119.53726   117.06178
   42    41 S   HA   _H8_    40     1.08744   120.41388    -0.21029
   43    39 S   CMA  _C12    51     1.35515   127.81883  -133.35926
   44    43 S   OM   _O33    52     1.26282   127.35562  -178.14175
   45    41 S   CA   _C5_    41     1.39634   120.77328   179.61743
   46    45 S   HA   _H7_    42     1.08624   119.91576   180.00000
   47    43 S   NE   _N4_    53     1.40498   121.82405     1.80927
   48    45 S   CA   _C4_    43     1.39279   120.09862    -0.11535
   49    48 S   HA   _H6_    44     1.08603   120.05817  -179.94766
   50    47 S   CT   _C13    54     1.46687   122.99145  -117.81680
   51    50 S   HC   _H12    55     1.09707   109.02240   124.28120
   52    50 S   HC   _H13    56     1.09672   111.72613     6.86021
   53    48 S   CA   _C9_    45     1.39280   119.89236    -0.08623
   54    53 S   HA   _H10    46     1.08624   119.99863  -179.82529
   55    50 S   CT   _C14    57     1.52322   109.37866  -115.27055
   56    55 S   HC   _H14    58     1.09575   109.75910  -176.50593
   57    55 S   HC   _H15    59     1.09684   109.91726    66.07254
   58    38 S   CA   _C8_    47     1.40541   122.07322   -63.66560
   59    58 S   HA   _H9_    48     1.08737   120.52843     0.32746
   60    55 S   CT   _C15    60     1.52867   111.31788   -54.90618
   61    60 S   HC   _H16    61     1.09501   107.92014   175.46274
   62    60 S   HC   _H17    62     1.09748   109.13772   -68.51032
   63    60 S   CT   _C16    63     1.54620   112.37495    53.25288
   64    63 S   HC   _H4_    64     1.09950   107.59964    65.52577
   65    47 S   CT   _C17    65     1.46809   122.35475    68.00295
   66    65 S   HC   _H18    66     1.09197   109.30570    -5.24038
   67    65 S   HC   _H19    67     1.09698   109.37751  -122.60205
   68    63 S   CT   _C18    68     1.55442   110.93644  -175.87113
   69    68 S   HC   _H5_    69     1.09724   109.84771    62.48214
   70    68 S   CT   _C19    70     1.53725   112.89640   -60.83784
   71    70 S   HC   _H20    71     1.09507   110.39536    64.75688
   72    70 S   HC   _H21    72     1.09766   109.78105   -52.89887
   73    70 S   CT   _C20    73     1.52752   112.60036  -174.68559
   74    73 S   HC   _H22    74     1.09702   109.38686   -66.99767
   75    73 S   HC   _H23    75     1.09583   109.68283   175.99489
   76    73 S   CT   _C21    76     1.52266   111.44518    54.26525
   77    76 S   HC   _H24    77     1.09668   109.41152    66.65344
   78    76 S   HC   _H25    78     1.09557   109.76065  -176.26545
   79    76 S   CT   _C22    79     1.51652   111.01591   -54.79029
   80    79 S   HC   _H26    80     1.09364   111.61071   173.91991
   81    79 S   HC   _H27    81     1.09497   112.14703   -63.29355
   82    68 S   NP   _N5_    82     1.50706   110.07746   178.65201
   83    82 S   H    _H28    83     1.03602   110.10783    56.19738
   84    82 S   H    _H29    84     1.02676   110.36196   -59.01949
  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  12   8   3   8   4  10   3   6   3  13   5
   3  12   6   5   3   2   9   5   4   1   1  11   5   4  14   7
   6   2   1  14   8  12   6   5   9   5   4   8   5   4   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    58    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    53    58    59    39    40    43    44    47  
   38    41    58    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    53    54    58    59    39    40    43  
   40    43    44    47    50    65    41    58  
   43    44    47  
   42    45    46    48    49    53    58    59  
   45    46    48    58  
   44    47    50    51    52    55    63    65    66    67  
   47    50    65  
   46    48    49    53    54    58  
   48    49    53  
   50    51    52    55    56    57    60    63    64    65    66    67    68  
   49    53    54    58    59  
   53    54    58  
   51    52    55    56    57    60    61    62    63    65    66    67  
   52    55    56    57    60    65  
   55    56    57    60    65  
   54    58    59  
   58    59  
   56    57    60    61    62    63    64    65    68  
   57    60    61    62    63  
   60    61    62    63  
   59  
    0  
   61    62    63    64    65    66    67    68    69    70    82  
   62    63    64    65    68  
   63    64    65    68  
   64    65    66    67    68    69    70    71    72    73    79    82    83    84  
   65    66    67    68    69    70    82  
   66    67    68    69    70    82  
   67    68  
   68  
   69    70    71    72    73    74    75    76    79    80    81    82    83    84  
   70    71    72    73    79    82    83    84  
   71    72    73    74    75    76    77    78    79    82    83    84  
   72    73    74    75    76    82  
   73    74    75    76    82  
   74    75    76    77    78    79    80    81    82  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.2500   0.1700  -0.993100   1.9050   1.6860   0.051222218  -2.220205820
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   3.2500   0.1700  -0.200000   2.1950   1.9500   0.003973653   1.685851020
   83   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   84   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    58   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    49   367.000  1.080
   48    53   469.000  1.400
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    59   367.000  1.080
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   415.000  1.382
   47    50   382.000  1.448
   47    65   382.000  1.448
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    68   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    82   367.000  1.471
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   367.000  1.471
   82    83   434.000  1.010
   82    84   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    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    58    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    58    53    63.00000  120.00000
   38    58    59    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    49    35.00000  120.00000
   45    48    53    63.00000  120.00000
   48    45    46    35.00000  120.00000
   48    53    54    35.00000  120.00000
   48    53    58    63.00000  120.00000
   53    48    49    35.00000  120.00000
   53    58    59    35.00000  120.00000
   58    38    41    63.00000  120.00000
   58    53    54    35.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    75.00000  114.40000
   43    39    40    40.00000  120.50800
   43    47    50    50.00000  121.00000
   43    47    65    50.00000  121.00000
   47    43    44   105.00000  113.92000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    55    80.00000  111.61500
   47    65    63    80.00000  111.61500
   47    65    66    35.00000  109.50000
   47    65    67    35.00000  109.50000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    60    58.35000  112.70000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    63    58.35000  112.70000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    58.35000  112.70000
   60    63    68    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    65    66    37.50000  110.70000
   63    65    67    37.50000  110.70000
   63    68    69    37.50000  110.70000
   63    68    70    58.35000  112.70000
   63    68    82    80.00000  111.20000
   65    47    50    50.00000  115.00000
   65    63    64    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    63    64    37.50000  110.70000
   68    63    65    58.35000  112.70000
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    70    73    58.35000  112.70000
   68    82    79    75.00000  113.01200
   68    82    83    35.00000  109.50000
   68    82    84    35.00000  109.50000
   70    68    69    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    80.00000  111.20000
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    82    83    35.00000  109.50000
   79    82    84    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    68    69    35.00000  109.50000
   82    68    70    80.00000  111.20000
   82    79    80    35.00000  109.50000
   82    79    81    35.00000  109.50000
   84    82    83    35.00000  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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    58  -0.16000  1.0 1.0
   29    33    38    58  -0.03200 -1.0 2.0
   29    33    38    58   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    58    53   3.62500 -1.0 2.0
   33    38    58    59   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    58   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    58    53   3.62500 -1.0 2.0
   41    38    58    59   3.62500 -1.0 2.0
   41    45    48    49   3.62500 -1.0 2.0
   41    45   -48    53   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    53    54   3.62500 -1.0 2.0
   45    48    53    58   3.62500 -1.0 2.0
   46    45    48    49   3.62500 -1.0 2.0
   46    45    48    53   3.62500 -1.0 2.0
   48    53   -58    38   3.62500 -1.0 2.0
   48    53    58    59   3.62500 -1.0 2.0
   49    48    53    54   3.62500 -1.0 2.0
   49    48    53    58   3.62500 -1.0 2.0
   54    53    58    38   3.62500 -1.0 2.0
   54    53    58    59   3.62500 -1.0 2.0
   58    38    41    42   3.62500 -1.0 2.0
   58    38   -41    45   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    58   0.18050 -1.0 2.0
   39    43    47    50  -0.54700  1.0 1.0
   39    43    47    50   1.23000 -1.0 2.0
   39    43    47    65  -0.54700  1.0 1.0
   39    43    47    65   1.23000 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    50    51   0.00000  1.0 1.0
   43    47    50    52   0.00000  1.0 1.0
   43    47    50    55   0.25450  1.0 1.0
   43    47    50    55  -0.61700 -1.0 2.0
   43    47    50    55  -0.23550  1.0 3.0
   43    47    65    63   0.25450  1.0 1.0
   43    47    65    63  -0.61700 -1.0 2.0
   43    47    65    63  -0.23550  1.0 3.0
   43    47    65    66   0.00000  1.0 1.0
   43    47    65    67   0.00000  1.0 1.0
   44    43    47    50   1.00000 -1.0 2.0
   44    43    47    65   1.00000 -1.0 2.0
   47    50    55    56   0.22950  1.0 3.0
   47    50    55    57   0.22950  1.0 3.0
   47    50    55    60   1.26750  1.0 1.0
   47    50    55    60  -0.00950 -1.0 2.0
   47    50    55    60   0.30600  1.0 3.0
   50    47    65    63   0.00000  1.0 1.0
   50    47    65    66   0.00000  1.0 1.0
   50    47    65    67   0.00000  1.0 1.0
   50    55    60    61   0.15000  1.0 3.0
   50    55    60    62   0.15000  1.0 3.0
   50    55   -60    63   0.56750  1.0 1.0
   50    55   -60    63  -0.07550 -1.0 2.0
   50    55   -60    63   0.20000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    60   0.15000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    50    55    60   0.15000  1.0 3.0
   55    60    63    64   0.15000  1.0 3.0
   55    60    63    65   0.56750  1.0 1.0
   55    60    63    65  -0.07550 -1.0 2.0
   55    60    63    65   0.20000  1.0 3.0
   55    60    63    68   0.56750  1.0 1.0
   55    60    63    68  -0.07550 -1.0 2.0
   55    60    63    68   0.20000  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    63   0.15000  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    62   0.15000  1.0 3.0
   57    55    60    63   0.15000  1.0 3.0
   60    63   -65    47   1.26750  1.0 1.0
   60    63   -65    47  -0.00950 -1.0 2.0
   60    63   -65    47   0.30600  1.0 3.0
   60    63    65    66   0.15000  1.0 3.0
   60    63    65    67   0.15000  1.0 3.0
   60    63    68    69   0.15000  1.0 3.0
   60    63    68    70   0.56750  1.0 1.0
   60    63    68    70  -0.07550 -1.0 2.0
   60    63    68    70   0.20000  1.0 3.0
   60    63    68    82   1.36600  1.0 1.0
   60    63    68    82  -0.11450 -1.0 2.0
   60    63    68    82   0.24250  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    68   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    68   0.15000  1.0 3.0
   63    68    70    71   0.15000  1.0 3.0
   63    68    70    72   0.15000  1.0 3.0
   63    68    70    73   0.56750  1.0 1.0
   63    68    70    73  -0.07550 -1.0 2.0
   63    68    70    73   0.20000  1.0 3.0
   63    68    82    79   0.47100  1.0 1.0
   63    68    82    83   0.17350  1.0 3.0
   63    68    82    84   0.17350  1.0 3.0
   64    63    65    47   0.22950  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    67   0.15000  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   64    63    68    82   0.19200  1.0 3.0
   65    47    50    51   0.00000  1.0 1.0
   65    47    50    52   0.00000  1.0 1.0
   65    47   -50    55   0.00000  1.0 1.0
   65    63    68    69   0.15000  1.0 3.0
   65    63    68    70   0.56750  1.0 1.0
   65    63    68    70  -0.07550 -1.0 2.0
   65    63    68    70   0.20000  1.0 3.0
   65    63    68    82   1.36600  1.0 1.0
   65    63    68    82  -0.11450 -1.0 2.0
   65    63    68    82   0.24250  1.0 3.0
   68    63    65    47   1.26750  1.0 1.0
   68    63    65    47  -0.00950 -1.0 2.0
   68    63    65    47   0.30600  1.0 3.0
   68    63    65    66   0.15000  1.0 3.0
   68    63    65    67   0.15000  1.0 3.0
   68    70    73    74   0.15000  1.0 3.0
   68    70    73    75   0.15000  1.0 3.0
   68    70    73    76   0.56750  1.0 1.0
   68    70    73    76  -0.07550 -1.0 2.0
   68    70    73    76   0.20000  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    70    73   0.15000  1.0 3.0
   69    68    82    79   0.15000  1.0 3.0
   69    68    82    83   0.13050  1.0 3.0
   69    68    82    84   0.13050  1.0 3.0
   70    68    82    79   0.47100  1.0 1.0
   70    68    82    83   0.17350  1.0 3.0
   70    68    82    84   0.17350  1.0 3.0
   70    73    76    77   0.15000  1.0 3.0
   70    73    76    78   0.15000  1.0 3.0
   70    73   -76    79   0.56750  1.0 1.0
   70    73   -76    79  -0.07550 -1.0 2.0
   70    73   -76    79   0.20000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   72    70    73    76   0.15000  1.0 3.0
   73    76    79    80   0.15000  1.0 3.0
   73    76    79    81   0.15000  1.0 3.0
   73    76    79    82   1.36600  1.0 1.0
   73    76    79    82  -0.11450 -1.0 2.0
   73    76    79    82   0.24250  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79   0.15000  1.0 3.0
   76    79   -82    68   0.47100  1.0 1.0
   76    79    82    83   0.17350  1.0 3.0
   76    79    82    84   0.17350  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82   0.19200  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81   0.15000  1.0 3.0
   78    76    79    82   0.19200  1.0 3.0
   80    79    82    68   0.15000  1.0 3.0
   80    79    82    83   0.13050  1.0 3.0
   80    79    82    84   0.13050  1.0 3.0
   81    79    82    68   0.15000  1.0 3.0
   81    79    82    83   0.13050  1.0 3.0
   81    79    82    84   0.13050  1.0 3.0
   82    68    70    71   0.19200  1.0 3.0
   82    68    70    72   0.19200  1.0 3.0
   82    68   -70    73   1.36600  1.0 1.0
   82    68   -70    73  -0.11450 -1.0 2.0
   82    68   -70    73   0.24250  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
   41    58    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   53    49    48    45   1.10000 -1.0 2.0
   58    54    53    48   1.10000 -1.0 2.0
   53    59    58    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   47    44    43    39  15.00000 -1.0 2.0
   65    43    47    50   1.00000 -1.0 2.0
END
