* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    144    217     426
    1     0 S   NP   _N1_     1    28.82748    96.27453   -22.50617
    2     1 S   H    _HN1     2     1.02784   100.12729   -97.61291
    3     1 S   H    _H1_     3     1.02945    72.37579     8.62819
    4     1 S   H    _H2_     4     1.02821    40.45309   156.58017
    5     1 S   CT   _CA1     5     1.50104   143.76476   109.27558
    6     5 S   HC   _HA1     6     1.09578   105.16161    89.80914
    7     5 S   CO3  _C1_     7     1.53801   112.54858   -30.32018
    8     7 S   O2Z  _O11     8     1.26376   114.98273   -40.92276
    9     7 S   O2Z  _O12     9     1.26255   114.96058   138.13981
   10     5 S   CT   _CB1    10     1.53080   107.40141  -152.25753
   11    10 S   HC   HB11    11     1.09829   109.33884   -50.06432
   12    10 S   HC   HB12    12     1.09807   110.49757    66.59926
   13    10 S   CT   _CG1    13     1.52910   112.49105  -171.04586
   14    13 S   HC   HG11    14     1.09583   110.51932   -67.27608
   15    13 S   HC   HG12    15     1.09674   109.72790    51.91870
   16    13 S   C    _CD1    16     1.51764   112.40144   172.41750
   17    16 S   O    _OE1    17     1.22729   123.32992     8.24472
   18    16 S   N    _N2_    18     1.38585   111.58794  -171.77061
   19    18 S   H    _HN2    19     1.01809   118.75677     0.64224
   20    18 S   CT1  _CA2    20     1.46145   123.69640   178.37081
   21    20 S   HC   _HA2    21     1.09730   109.25276     7.79865
   22    20 S   C    _C2_    22     1.53605   109.10709  -107.99256
   23    22 S   O    _O2_    23     1.23101   122.15939  -149.59471
   24    20 S   CT   _CB2    32     1.53378   111.29673   129.70032
   25    24 S   HC   HB21    33     1.09223   109.39296    59.44698
   26    24 S   HC   HB22    34     1.09486   110.14548   177.43753
   27    22 S   N    _N3_    24     1.38296   113.97424    38.02303
   28    27 S   H    _HN3    25     1.01555   119.63825    -3.99233
   29    24 S   S    _SG2    35     1.82873   111.12775   -63.36593
   30    27 S   CT   _CA3    26     1.45292   123.17175   176.90282
   31    30 S   HC   HA31    27     1.09554   107.57757   -61.98778
   32    30 S   HC   HA32    28     1.09556   107.88442    54.41434
   33    29 S   CT   _C7_    36     1.88840   101.48953   158.25084
   34    30 S   CO3  _C3_    29     1.52955   114.13994   176.28364
   35    34 S   O2Z  _O31    30     1.26370   116.08767    -2.74616
   36    34 S   O2Z  _O32    31     1.26437   114.41092   177.32146
   37    33 S   CM   _C8_    37     1.51198   106.98268   154.21500
   38    37 S   HC   _H12    38     1.08886   118.63374   -23.96102
   39    33 S   OS   _O34    75     1.44863   110.83889    32.91344
   40    37 S   CMA  _C9_    39     1.34938   122.83505   157.73456
   41    40 S   OM   _O33    40     1.26242   127.31418   179.55987
   42    39 S   CT   _C10    76     1.42148   117.23672    74.77355
   43    42 S   HC   _H13    77     1.09375   107.81268  -168.65665
   44    42 S   HC   _H14    78     1.09364   110.67748    73.89720
   45    42 S   HC   _H15    79     1.09308   112.11628   -49.70382
   46    40 S   NE   _N4_    41     1.41779   119.25571     1.22956
   47    46 S   CT   _C5_    42     1.50292   122.99560   -19.14417
   48    47 S   OM   _O41    43     1.32950   106.53045  -125.20291
   49    47 S   HC   _H3_    44     1.10080   104.69356   108.17303
   50    46 S   CT   _C4_    71     1.48239   121.69422   151.48353
   51    50 S   HC   _H9_    72     1.09617   111.87348  -159.00861
   52    50 S   HC   _H10    73     1.09543   110.37118    80.54684
   53    50 S   HC   _H11    74     1.09625   110.95863   -40.67635
   54    33 S   CT   _C6_    45     1.59106   111.70801   -87.16704
   55    54 S   CZ   _C11    46     1.49769   109.43313   -49.92165
   56    55 S   NZ   _N5_    47     1.16181   178.25594    92.85190
   57    54 S   OS1  _O35    48     1.45171   104.33517    67.11571
   58    57 S   CO1  _C12    49     1.42797   119.24809   175.69821
   59    58 S   HC   _H4_    50     1.09606   110.79138    29.12619
   60    58 S   CT   _C13    51     1.53548   106.71225   147.93632
   61    60 S   HC   _H5_    52     1.09695   110.06093    52.09099
   62    60 S   CT   _C14    53     1.52993   111.19858   174.14084
   63    62 S   HC   _H6_    54     1.09664   110.29593    73.12154
   64    60 S   OH5  _O40    69     1.42923   110.02164   -64.64110
   65    64 S   HO   _H21    70     0.97342   108.19359   -59.42358
   66    62 S   CT   _C15    55     1.53100   111.25074   -49.63039
   67    66 S   HC   _H7_    56     1.09711   109.00535   -71.75727
   68    62 S   OH5  _O39    67     1.42982   109.63811  -170.93722
   69    68 S   HO   _H20    68     0.97239   108.13709    59.57751
   70    66 S   CT   _C16    57     1.53264   110.83307    49.50826
   71    70 S   HC   _H8_    58     1.09820   111.00958    64.99144
   72    66 S   OH5  _O38    65     1.42637   109.62818   171.50817
   73    72 S   HO   _H19    66     0.97267   108.09034   -58.97337
   74    58 S   OS1  _O36    59     1.42900   110.13723   -93.75053
   75    70 S   CT   _C17    60     1.53065   111.20123  -174.21592
   76    75 S   HC   _H16    61     1.09511   110.92617    70.49019
   77    75 S   HC   _H17    62     1.09395   111.56638   -51.79378
   78    75 S   OH5  _O37    63     1.42401   109.28066  -170.73227
   79    78 S   HO   _H18    64     0.97195   107.18359  -176.29514
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  18   2   1   1  11   5   9  10   3   4   2   1   1  10  11   5
   4   4   2   1   1   7   3   1   8  13   6  12   7  13   7   4
   1  12   7   3   1   9   6   3   1   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    47    54    55    57    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    46    47    48    49    54    55    56    57    58    39    42    43    44    45  
   35    36  
   36  
    0  
   38    40    41    46    47    54    55    57    50    39    42  
   40    41    46    54    39  
   42    43    44    45    40    47    54    55    57  
   41    46    47    48    49    54    50    51    52    53  
   46    47    50  
   43    44    45    54  
   44    45  
   45  
    0  
   47    48    49    54    55    57    50    51    52    53  
   48    49    54    55    56    57    58    50    51    52    53  
   49    54    55    57    50  
   54    55    57    50  
   51    52    53    54  
   52    53  
   53  
    0  
   55    56    57    58    59    60    74  
   56    57    58  
   57  
   58    59    60    61    62    70    74    64  
   59    60    61    62    63    66    70    71    74    75    68    64    65  
   60    61    62    70    74    64  
   61    62    63    66    67    70    74    72    68    69    64    65  
   62    63    66    74    68    64    65  
   63    66    67    70    71    74    75    72    73    68    69    64    65  
   66    67    70    72    68    69    64  
   65    66    68    74  
    0  
   67    70    71    74    75    76    77    78    72    73    68    69  
   70    71    74    75    72    73    68  
   69    70    72  
    0  
   71    74    75    76    77    78    79    72    73  
   74    75    76    77    78    72  
   73    74    75  
    0  
   75    76    77    78  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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   0.417900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.2500   0.1700  -0.880300   1.9050   1.6860   0.051222218  -2.220205820
   47   4.2000   0.3000   0.042500   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.055300   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   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.3000   0.0660   0.560000   2.0580   1.8250   0.025318638  -1.264311570
   56   3.2800   0.1700  -0.560000   2.2500   2.0000   0.024786691  -1.117108600
   57   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    54   268.000  1.529
   33    39   320.000  1.410
   37    38   340.000  1.080
   37    40   465.000  1.376
   40    41   745.000  1.250
   40    46   415.000  1.382
   46    47   382.000  1.448
   46    50   382.000  1.448
   47    48   570.000  1.307
   47    49   340.000  1.090
   47    54   268.000  1.529
   54    55   390.000  1.470
   54    57   335.000  1.422
   55    56   650.000  1.157
   57    58   370.000  1.399
   58    59   360.000  1.097
   58    60   255.000  1.525
   58    74   370.000  1.399
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   355.000  1.421
   62    63   340.000  1.090
   62    66   268.000  1.529
   62    68   355.000  1.421
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    72   355.000  1.421
   70    71   340.000  1.090
   70    74   335.000  1.422
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   355.000  1.421
   78    79   580.000  0.967
   72    73   580.000  0.967
   68    69   580.000  0.967
   64    65   580.000  0.967
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   39    42   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    54    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    54    47    58.35000  112.70000
   33    54    55    58.35000  112.70000
   33    54    57    95.00000  107.88500
   33    39    42    60.00000  109.50000
   37    40    41    65.00000  137.10300
   37    40    46    75.00000  114.40000
   40    37    38    40.00000  120.50800
   40    46    47    50.00000  121.00000
   40    46    50    50.00000  121.00000
   46    40    41   105.00000  113.92000
   46    47    48    95.00000  111.00000
   46    47    49    35.00000  109.50000
   46    47    54    80.00000  111.61500
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   46    50    53    35.00000  109.50000
   47    54    55    58.35000  112.70000
   47    54    57    95.00000  107.88500
   49    47    48    45.00000  125.66300
   54    33    37    70.00000  112.02700
   54    47    48    50.00000  109.50000
   54    47    49    37.50000  110.70000
   54    55    56   150.00000  180.00000
   54    57    58    90.00000  112.10700
   57    54    55    90.00000  109.17800
   57    58    59    60.00000  105.75400
   57    58    60    90.00000  109.70700
   57    58    74   110.00000  113.16000
   58    60    61    45.00000  109.54000
   58    60    62    70.00000  111.10000
   58    60    64    90.00000  109.42000
   58    74    70    90.00000  112.10700
   60    58    59    45.00000  111.65000
   60    62    63    37.50000  110.70000
   60    62    66    58.35000  112.70000
   60    62    68    90.00000  111.45300
   60    64    65    65.00000  108.53500
   62    60    61    37.50000  110.70000
   62    66    67    37.50000  110.70000
   62    66    70    58.35000  112.70000
   62    66    72    90.00000  111.45300
   62    68    69    65.00000  108.53500
   66    62    63    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    74    95.00000  107.88500
   66    70    75    58.35000  112.70000
   66    72    73    65.00000  108.53500
   70    66    67    37.50000  110.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    78    90.00000  111.45300
   74    58    59    60.00000  105.75400
   74    58    60    90.00000  109.70700
   74    70    71    55.00000  108.98800
   75    70    71    37.50000  110.70000
   75    70    74    95.00000  107.88500
   75    78    79    65.00000  108.53500
   77    75    76    33.00000  107.80000
   78    75    76    60.00000  109.39000
   78    75    77    60.00000  109.39000
   72    66    67    60.00000  109.39000
   72    66    70    90.00000  111.45300
   68    62    63    60.00000  109.39000
   68    62    66    90.00000  111.45300
   64    60    61    60.00000  109.39000
   64    60    62    90.00000  111.45300
   50    46    47    50.00000  115.00000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   39    33    37    85.00000  110.90400
   39    33    54    50.00000  109.50000
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   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    37    38   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    54    47   0.44750  1.0 1.0
   29    33    54    47  -0.17800 -1.0 2.0
   29    33    54    47   0.20200  1.0 3.0
   29    33    54    55   0.56750  1.0 1.0
   29    33    54    55  -0.07550 -1.0 2.0
   29    33    54    55   0.20000  1.0 3.0
   29    33    54    57   0.56750  1.0 1.0
   29    33    54    57  -0.07550 -1.0 2.0
   29    33    54    57   0.20000  1.0 3.0
   29    33    39    42   0.14700  1.0 1.0
   29    33    39    42  -1.16150 -1.0 2.0
   29    33    39    42   0.48700  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    46   7.00000 -1.0 2.0
   33    54    55    56   0.00000  1.0 1.0
   33    54    57    58   0.06250  1.0 1.0
   33    54    57    58  -0.01100 -1.0 2.0
   33    54    57    58   0.28050  1.0 3.0
   33    39    42    43   0.37050  1.0 3.0
   33    39    42    44   0.37050  1.0 3.0
   33    39    42    45   0.37050  1.0 3.0
   37    33    54    47   0.34400  1.0 1.0
   37    33    54    47   0.09450 -1.0 2.0
   37    33    54    47   0.11100  1.0 3.0
   37    33    54    55   0.56750  1.0 1.0
   37    33    54    55  -0.07550 -1.0 2.0
   37    33    54    55   0.20000  1.0 3.0
   37    33    54    57   0.61850  1.0 1.0
   37    33    54    57  -0.22750 -1.0 2.0
   37    33    54    57   0.15300  1.0 3.0
   37    33    39    42  -0.77900  1.0 1.0
   37    33    39    42  -0.36900 -1.0 2.0
   37    33    39    42   0.40400  1.0 3.0
   37    40   -46    47  -0.54700  1.0 1.0
   37    40   -46    47   1.23000 -1.0 2.0
   37    40    46    50  -0.54700  1.0 1.0
   37    40    46    50   1.23000 -1.0 2.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    46   7.00000 -1.0 2.0
   40    46    47    48   0.75000  1.0 1.0
   40    46    47    48  -0.75000 -1.0 2.0
   40    46    47    49   0.00000  1.0 1.0
   40    46    47    54   0.25450  1.0 1.0
   40    46    47    54  -0.61700 -1.0 2.0
   40    46    47    54  -0.23550  1.0 3.0
   40    46    50    51   0.00000  1.0 1.0
   40    46    50    52   0.00000  1.0 1.0
   40    46    50    53   0.00000  1.0 1.0
   41    40    46    47   1.00000 -1.0 2.0
   41    40    46    50   1.00000 -1.0 2.0
   46    47   -54    33   1.26750  1.0 1.0
   46    47   -54    33  -0.00950 -1.0 2.0
   46    47   -54    33   0.30600  1.0 3.0
   46    47    54    55   0.56750  1.0 1.0
   46    47    54    55  -0.07550 -1.0 2.0
   46    47    54    55   0.20000  1.0 3.0
   46    47    54    57   2.03850  1.0 1.0
   46    47    54    57  -0.40600 -1.0 2.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    52   0.00000  1.0 1.0
   47    46    50    53   0.00000  1.0 1.0
   47    54    55    56   0.00000  1.0 1.0
   47    54    57    58   0.06250  1.0 1.0
   47    54    57    58  -0.01100 -1.0 2.0
   47    54    57    58   0.28050  1.0 3.0
   48    47    54    33   0.62750  1.0 1.0
   48    47    54    33  -0.30950 -1.0 2.0
   48    47    54    33   0.27300  1.0 3.0
   48    47    54    55   0.56750  1.0 1.0
   48    47    54    55  -0.07550 -1.0 2.0
   48    47    54    55   0.20000  1.0 3.0
   48    47    54    57   1.11900  1.0 1.0
   48    47    54    57  -1.16350 -1.0 2.0
   48    47    54    57  -0.34150  1.0 3.0
   49    47    54    33   0.15000  1.0 3.0
   49    47    54    55   0.15000  1.0 3.0
   49    47    54    57   0.23400  1.0 3.0
   54    33    37    38   0.00000  1.0 1.0
   54    33   -37    40   0.09850  1.0 1.0
   54    33   -37    40   0.15250 -1.0 2.0
   54    33   -37    40  -0.50650  1.0 3.0
   54    33    39    42   0.06250  1.0 1.0
   54    33    39    42  -0.01100 -1.0 2.0
   54    33    39    42   0.28050  1.0 3.0
   54    57    58    59   0.37050  1.0 3.0
   54    57    58    60   0.06250  1.0 1.0
   54    57    58    60  -0.01100 -1.0 2.0
   54    57    58    60   0.28050  1.0 3.0
   54    57    58    74  -0.12700  1.0 1.0
   54    57    58    74  -1.16200 -1.0 2.0
   54    57    58    74   0.58800  1.0 3.0
   55    54    57    58   0.37500  1.0 3.0
   57    54    55    56   0.00000  1.0 1.0
   57    58    60    61   0.23400  1.0 3.0
   57    58    60    62   0.62750  1.0 1.0
   57    58    60    62  -0.30950 -1.0 2.0
   57    58    60    62   0.27300  1.0 3.0
   57    58    60    64   1.51850  1.0 1.0
   57    58    74    70  -0.70400  1.0 1.0
   57    58    74    70  -0.90350 -1.0 2.0
   58    60    62    63   0.15000  1.0 3.0
   58    60    62    66   0.56750  1.0 1.0
   58    60    62    66  -0.07550 -1.0 2.0
   58    60    62    66   0.20000  1.0 3.0
   58    60    62    68  -0.47750  1.0 1.0
   58    60    64    65   0.29150  1.0 1.0
   58    60    64    65  -0.28350 -1.0 2.0
   58    60    64    65   0.43600  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    64   0.23400  1.0 3.0
   59    58    74    70   0.37050  1.0 3.0
   60    58    74    70   0.06250  1.0 1.0
   60    58    74    70  -0.01100 -1.0 2.0
   60    58    74    70   0.28050  1.0 3.0
   60    62    66    67   0.15000  1.0 3.0
   60    62   -66    70   0.56750  1.0 1.0
   60    62   -66    70  -0.07550 -1.0 2.0
   60    62   -66    70   0.20000  1.0 3.0
   60    62    66    72  -0.47750  1.0 1.0
   60    62    68    69   0.29150  1.0 1.0
   60    62    68    69  -0.28350 -1.0 2.0
   60    62    68    69   0.43600  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    66   0.15000  1.0 3.0
   61    60    62    68   0.23400  1.0 3.0
   61    60    64    65   0.19450  1.0 3.0
   62    60    64    65   0.29150  1.0 1.0
   62    60    64    65  -0.28350 -1.0 2.0
   62    60    64    65   0.43600  1.0 3.0
   62    66    70    71   0.15000  1.0 3.0
   62    66    70    74   0.62750  1.0 1.0
   62    66    70    74  -0.30950 -1.0 2.0
   62    66    70    74   0.27300  1.0 3.0
   62    66    70    75   0.56750  1.0 1.0
   62    66    70    75  -0.07550 -1.0 2.0
   62    66    70    75   0.20000  1.0 3.0
   62    66    72    73   0.29150  1.0 1.0
   62    66    72    73  -0.28350 -1.0 2.0
   62    66    72    73   0.43600  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    70   0.15000  1.0 3.0
   63    62    66    72   0.23400  1.0 3.0
   63    62    68    69   0.19450  1.0 3.0
   66    62    68    69   0.29150  1.0 1.0
   66    62    68    69  -0.28350 -1.0 2.0
   66    62    68    69   0.43600  1.0 3.0
   66    70   -74    58   0.06250  1.0 1.0
   66    70   -74    58  -0.01100 -1.0 2.0
   66    70   -74    58   0.28050  1.0 3.0
   66    70    75    76   0.15000  1.0 3.0
   66    70    75    77   0.15000  1.0 3.0
   66    70    75    78  -0.47750  1.0 1.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    74   0.23400  1.0 3.0
   67    66    70    75   0.15000  1.0 3.0
   67    66    72    73   0.19450  1.0 3.0
   70    66    72    73   0.29150  1.0 1.0
   70    66    72    73  -0.28350 -1.0 2.0
   70    66    72    73   0.43600  1.0 3.0
   70    75    78    79   0.29150  1.0 1.0
   70    75    78    79  -0.28350 -1.0 2.0
   70    75    78    79   0.43600  1.0 3.0
   71    70    74    58   0.37050  1.0 3.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    78   0.23400  1.0 3.0
   74    58    60    61   0.23400  1.0 3.0
   74    58   -60    62   0.62750  1.0 1.0
   74    58   -60    62  -0.30950 -1.0 2.0
   74    58   -60    62   0.27300  1.0 3.0
   74    58    60    64   1.51850  1.0 1.0
   74    70    75    76   0.23400  1.0 3.0
   74    70    75    77   0.23400  1.0 3.0
   74    70    75    78   1.51850  1.0 1.0
   75    70    74    58   0.06250  1.0 1.0
   75    70    74    58  -0.01100 -1.0 2.0
   75    70    74    58   0.28050  1.0 3.0
   76    75    78    79   0.19450  1.0 3.0
   77    75    78    79   0.19450  1.0 3.0
   72    66    70    71   0.23400  1.0 3.0
   72    66    70    74   1.51850  1.0 1.0
   72    66    70    75  -0.47750  1.0 1.0
   68    62    66    67   0.23400  1.0 3.0
   68    62    66    70  -0.47750  1.0 1.0
   68    62    66    72   3.77950  1.0 1.0
   64    60    62    63   0.23400  1.0 3.0
   64    60    62    66  -0.47750  1.0 1.0
   64    60    62    68   3.77950  1.0 1.0
   50    46    47    48   0.00000  1.0 1.0
   50    46    47    49   0.00000  1.0 1.0
   50    46    47    54   0.00000  1.0 1.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.39000  1.0 1.0
   39    33    37    40  -0.05800 -1.0 2.0
   39    33    37    40  -0.55150  1.0 3.0
   39    33    54    47   0.62750  1.0 1.0
   39    33    54    47  -0.30950 -1.0 2.0
   39    33    54    47   0.27300  1.0 3.0
   39    33    54    55   0.56750  1.0 1.0
   39    33    54    55  -0.07550 -1.0 2.0
   39    33    54    55   0.20000  1.0 3.0
   39    33    54    57   1.11900  1.0 1.0
   39    33    54    57  -1.16350 -1.0 2.0
   39    33    54    57  -0.34150  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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    40   1.10000 -1.0 2.0
   46    41    40    37   1.10000 -1.0 2.0
   50    40    46    47   1.00000 -1.0 2.0
END
