* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    154    254     467
    1     0 S   NP   _N1_     1    29.21957    96.94415   -19.14447
    2     1 S   H    _HN1     2     1.02793    84.08525  -108.32297
    3     1 S   H    _H1_     3     1.02955    71.29390     3.32437
    4     1 S   H    _H2_     4     1.02832    52.57147   133.81050
    5     1 S   CT   _CA1     5     1.50065   160.95531   101.93156
    6     5 S   HC   _HA1     6     1.09543   105.35896    86.06076
    7     5 S   CO3  _C1_     7     1.53850   112.43947   -34.75665
    8     7 S   O2Z  _O11     8     1.26404   114.98495   -41.84680
    9     7 S   O2Z  _O12     9     1.26235   115.11417   137.61786
   10     5 S   CT   _CB1    10     1.53065   107.51470  -155.37662
   11    10 S   HC   HB11    11     1.09824   109.96200   -45.53966
   12    10 S   HC   HB12    12     1.09820   110.17126    71.18845
   13    10 S   CT   _CG1    13     1.52978   112.42262  -166.32807
   14    13 S   HC   HG11    14     1.09447   110.81032   -56.30942
   15    13 S   HC   HG12    15     1.09647   109.81369    62.82039
   16    13 S   C    _CD1    16     1.51660   112.15409  -176.42944
   17    16 S   O    _OE1    17     1.22734   123.25377     3.11690
   18    16 S   N    _N2_    18     1.38659   111.73433  -177.21941
   19    18 S   H    _HN2    19     1.01574   119.11245     3.66970
   20    18 S   CT1  _CA2    20     1.46055   123.06354   179.95154
   21    20 S   HC   _HA2    21     1.09735   109.16065     5.04372
   22    20 S   C    _C2_    22     1.53575   109.18961  -110.58044
   23    22 S   O    _O2_    23     1.23079   122.15334  -150.33669
   24    20 S   CT   _CB2    32     1.53295   111.84552   126.58616
   25    24 S   HC   HB21    33     1.09510   110.56206    63.22822
   26    24 S   HC   HB22    34     1.09571   109.78648  -179.35290
   27    22 S   N    _N3_    24     1.38282   113.88875    37.08029
   28    27 S   H    _HN3    25     1.01568   119.60752    -3.26219
   29    24 S   S    _SG2    35     1.83054   112.24230   -60.85030
   30    27 S   CT   _CA3    26     1.45293   123.22615   177.13556
   31    30 S   HC   HA31    27     1.09548   107.49129   -65.07349
   32    30 S   HC   HA32    28     1.09556   108.01509    51.37885
   33    29 S   CT   _C18    36     1.84628   100.15264   108.55706
   34    33 S   HC   _H8_    37     1.09588   108.46419   -37.73327
   35    30 S   CO3  _C3_    29     1.52961   114.06116   173.37664
   36    35 S   O2Z  _O31    30     1.26378   116.05138    -1.10553
   37    35 S   O2Z  _O32    31     1.26423   114.42012   178.97416
   38    33 S   CM   _C17    38     1.51452   107.63097    78.76804
   39    38 S   HC   _H25    39     1.08951   116.19259   -68.01926
   40    38 S   CMA  _C16    40     1.35169   125.78179   113.35230
   41    40 S   OM   _O33    41     1.26131   129.96381   178.78147
   42    40 S   CT   _C15    42     1.52815   118.38889    -0.96975
   43    42 S   HC   _H23    43     1.10040   108.13924   105.26999
   44    42 S   HC   _H24    44     1.10006   111.06615  -138.02734
   45    42 S   CT   _C14    45     1.53768   113.47464   -17.10404
   46    45 S   HC   _H7_    46     1.09756   109.23020   -75.26804
   47    45 S   CT   _C8_    47     1.50773   113.68819   160.88881
   48    47 S   HC   _H4_    48     1.10311    89.22630   -69.51914
   49    47 S   CT   _C9_    49     1.53529   107.29081   175.93422
   50    49 S   HC   _H17    50     1.09728   113.54112   -25.93699
   51    49 S   HC   _H18    51     1.09566   114.40526  -146.75705
   52    47 S   CT   _C7_    74     1.49522   142.81305    14.60883
   53    52 S   HC   _H15    75     1.09484   114.12949   -33.13863
   54    52 S   HC   _H16    76     1.09277   115.12531    97.43820
   55    49 S   CT   _C10    52     1.50266    98.68230    93.04847
   56    55 S   HC   _H5_    53     1.09613   110.97759   177.42162
   57    55 S   CT   _C13    54     1.59854   102.67311   -67.37596
   58    57 S   HC   _H21    55     1.09589   108.36776   161.09366
   59    57 S   HC   _H22    56     1.09694   105.40715   -84.88548
   60    55 S   CT   _C11    58     1.59368   107.27268    57.23983
   61    60 S   HC   _H6_    59     1.09775   111.35977  -113.39567
   62    33 S   NT   _N5_    57     1.46167   113.28039  -157.26315
   63    60 S   CT   _C12    60     1.53004   112.29039   123.05415
   64    63 S   HC   _H19    61     1.09423   109.53053    60.40462
   65    63 S   HC   _H20    62     1.09713   110.18648   -57.13346
   66    63 S   CT   _C4_    63     1.52743   111.68991  -179.09951
   67    66 S   HC   _H9_    64     1.09708   109.35486   -65.05577
   68    66 S   HC   _H10    65     1.09596   109.51099   178.20420
   69    66 S   CT   _C5_    66     1.52571   112.15067    56.42096
   70    69 S   HC   _H11    67     1.09731   109.21820    67.63663
   71    69 S   HC   _H12    68     1.09587   109.44122  -175.84546
   72    69 S   CT   _C6_    69     1.52144   112.34514   -54.09007
   73    72 S   HC   _H13    70     1.09464   110.70180   174.13840
   74    72 S   HC   _H14    71     1.09495   112.21112   -62.91334
   75    60 S   NP   _N4_    72     1.62499   111.41496     4.59239
   76    75 S   H    _H3_    73     1.02893   105.67315    67.85268
  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
  14   6   2   1   1   9   4   8   4  10   5   4  15   6  15   9
  15   6   5  13   5   4  14   8   7   3   2  14   7   1  11   6
   5   9   5   4   7   5   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    62    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    57    62  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    46    47    55    57    58    59    62  
   38    39    40    45    57    62  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    57    62  
   40    41    42    62  
   41    42    43    44    45    46    47    62  
   42    43    44    45  
   43    44    45    46    47    48    49    57    62    52  
   44    45    46    47    62  
   45    46    47    62  
   46    47    48    49    50    51    55    57    58    59    62    75    52    53    54  
   47    48    49    57    62    52  
   48    49    50    51    55    56    57    62    60    72    75    76    52    53    54  
   49    50    51    55    62    75    52    53    54  
   50    51    55    56    57    58    59    62    60    61    63    75    52    53    54  
   51    55    56    57    60    52  
   55    56    57    60    52  
   53    54    55    60    61    62    63    69    72    73    74    75    76  
   54    60    72    75    76  
   60    72    75    76  
   56    57    58    59    62    60    61    63    64    65    66    72    75    76  
   57    58    59    62    60    61    63    75  
   58    59    62    60    61    63    75  
   59    62    60  
   62    60  
   61    63    64    65    66    67    68    69    72    73    74    75    76    62  
   63    64    65    66    72    75    76  
    0  
   64    65    66    67    68    69    70    71    72    75    76  
   65    66    67    68    69    75  
   66    67    68    69    75  
   67    68    69    70    71    72    73    74    75  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72    73    74    75    76  
   71    72    73    74    75  
   72    73    74    75  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    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   0.317500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0150   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   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   76   0.5000   0.0300   0.290000   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    62   382.000  1.448
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   268.000  1.529
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    62   382.000  1.448
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    60   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   382.000  1.448
   60    61   340.000  1.090
   60    63   268.000  1.529
   60    75   367.000  1.471
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   367.000  1.471
   75    76   434.000  1.010
   75    52   367.000  1.471
   52    53   340.000  1.090
   52    54   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    62    85.00000  109.00000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    62    45    51.80000  107.20000
   33    62    57    51.80000  107.20000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    45.00000  110.52000
   40    42    44    45.00000  110.52000
   40    42    45    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    45    46    37.50000  110.70000
   42    45    47    58.35000  112.70000
   42    45    62    56.20000  109.47000
   44    42    43    33.00000  107.80000
   45    42    43    37.50000  110.70000
   45    42    44    37.50000  110.70000
   45    47    48    37.50000  110.70000
   45    47    49    58.35000  112.70000
   45    47    52    58.35000  112.70000
   45    62    57    51.80000  107.20000
   47    45    46    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    55    58.35000  112.70000
   47    52    75    80.00000  111.20000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   49    47    48    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    57    58.35000  112.70000
   49    55    60    58.35000  112.70000
   51    49    50    33.00000  107.80000
   55    49    50    37.50000  110.70000
   55    49    51    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    59    37.50000  110.70000
   55    57    62    56.20000  109.47000
   55    60    61    37.50000  110.70000
   55    60    63    58.35000  112.70000
   55    60    75    80.00000  111.20000
   57    55    56    37.50000  110.70000
   59    57    58    33.00000  107.80000
   62    33    34    35.00000  109.50000
   62    33    38    75.00000  110.70900
   62    45    46    35.00000  109.50000
   62    45    47    56.20000  109.47000
   62    57    58    35.00000  109.50000
   62    57    59    35.00000  109.50000
   60    55    56    37.50000  110.70000
   60    55    57    58.35000  112.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    58.35000  112.70000
   60    75    72    75.00000  113.01200
   60    75    76    35.00000  109.50000
   60    75    52    75.00000  113.01200
   63    60    61    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    80.00000  111.20000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    75    76    35.00000  109.50000
   72    75    52    75.00000  113.01200
   74    72    73    33.00000  107.80000
   75    60    61    35.00000  109.50000
   75    60    63    80.00000  111.20000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   75    52    53    35.00000  109.50000
   75    52    54    35.00000  109.50000
   52    47    48    37.50000  110.70000
   52    47    49    58.35000  112.70000
   52    75    76    35.00000  109.50000
   54    52    53    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  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    62   0.01700  1.0 1.0
   24    29    33    62  -0.23550 -1.0 2.0
   24    29    33    62   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    62    45   0.23200  1.0 1.0
   29    33    62    45   0.02100 -1.0 2.0
   29    33    62    45   0.24950  1.0 3.0
   29    33    62    57   0.23200  1.0 1.0
   29    33    62    57   0.02100 -1.0 2.0
   29    33    62    57   0.24950  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    62    45   0.28000  1.0 3.0
   34    33    62    57   0.28000  1.0 3.0
   38    33    62    45  -0.60800  1.0 1.0
   38    33    62    45   1.10050 -1.0 2.0
   38    33    62    45   0.47000  1.0 3.0
   38    33    62    57  -0.60800  1.0 1.0
   38    33    62    57   1.10050 -1.0 2.0
   38    33    62    57   0.47000  1.0 3.0
   38    40    42    43   0.00000  1.0 1.0
   38    40    42    44   0.00000  1.0 1.0
   38    40   -42    45   0.09850  1.0 1.0
   38    40   -42    45   0.15250 -1.0 2.0
   38    40   -42    45  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    45    46   0.15000  1.0 3.0
   40    42    45    47   0.34400  1.0 1.0
   40    42    45    47   0.09450 -1.0 2.0
   40    42    45    47   0.11100  1.0 3.0
   40    42    45    62   0.59950  1.0 1.0
   40    42    45    62  -0.21400 -1.0 2.0
   40    42    45    62   0.56200  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    45   0.09700  1.0 1.0
   41    40    42    45   0.15600 -1.0 2.0
   41    40    42    45  -0.50800  1.0 3.0
   42    45    47    48   0.15000  1.0 3.0
   42    45    47    49   0.56750  1.0 1.0
   42    45    47    49  -0.07550 -1.0 2.0
   42    45    47    49   0.20000  1.0 3.0
   42    45    47    52   0.56750  1.0 1.0
   42    45    47    52  -0.07550 -1.0 2.0
   42    45    47    52   0.20000  1.0 3.0
   42    45   -62    33   0.23450  1.0 1.0
   42    45   -62    33   0.02050 -1.0 2.0
   42    45   -62    33   0.25250  1.0 3.0
   42    45    62    57   0.23450  1.0 1.0
   42    45    62    57   0.02050 -1.0 2.0
   42    45    62    57   0.25250  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    47   0.15000  1.0 3.0
   43    42    45    62   0.15000  1.0 3.0
   44    42    45    46   0.15000  1.0 3.0
   44    42    45    47   0.15000  1.0 3.0
   44    42    45    62   0.15000  1.0 3.0
   45    47    49    50   0.15000  1.0 3.0
   45    47    49    51   0.15000  1.0 3.0
   45    47    49    55   0.56750  1.0 1.0
   45    47    49    55  -0.07550 -1.0 2.0
   45    47    49    55   0.20000  1.0 3.0
   45    47    52    75   1.36600  1.0 1.0
   45    47    52    75  -0.11450 -1.0 2.0
   45    47    52    75   0.24250  1.0 3.0
   45    47    52    53   0.15000  1.0 3.0
   45    47    52    54   0.15000  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    52   0.15000  1.0 3.0
   46    45    62    33   0.28000  1.0 3.0
   46    45    62    57   0.28000  1.0 3.0
   47    45    62    33   0.23450  1.0 1.0
   47    45    62    33   0.02050 -1.0 2.0
   47    45    62    33   0.25250  1.0 3.0
   47    45    62    57   0.23450  1.0 1.0
   47    45    62    57   0.02050 -1.0 2.0
   47    45    62    57   0.25250  1.0 3.0
   47    49    55    56   0.15000  1.0 3.0
   47    49   -55    57   0.56750  1.0 1.0
   47    49   -55    57  -0.07550 -1.0 2.0
   47    49   -55    57   0.20000  1.0 3.0
   47    49    55    60   0.56750  1.0 1.0
   47    49    55    60  -0.07550 -1.0 2.0
   47    49    55    60   0.20000  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    55   0.15000  1.0 3.0
   48    47    52    75   0.19200  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    54   0.15000  1.0 3.0
   49    47    52    75   1.36600  1.0 1.0
   49    47    52    75  -0.11450 -1.0 2.0
   49    47    52    75   0.24250  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    54   0.15000  1.0 3.0
   49    55    57    58   0.15000  1.0 3.0
   49    55    57    59   0.15000  1.0 3.0
   49    55    57    62   1.53400  1.0 1.0
   49    55    57    62  -0.09950 -1.0 2.0
   49    55    57    62   0.05700  1.0 3.0
   49    55    60    61   0.15000  1.0 3.0
   49    55    60    63   0.56750  1.0 1.0
   49    55    60    63  -0.07550 -1.0 2.0
   49    55    60    63   0.20000  1.0 3.0
   49    55   -60    75   1.36600  1.0 1.0
   49    55   -60    75  -0.11450 -1.0 2.0
   49    55   -60    75   0.24250  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    57   0.15000  1.0 3.0
   50    49    55    60   0.15000  1.0 3.0
   51    49    55    56   0.15000  1.0 3.0
   51    49    55    57   0.15000  1.0 3.0
   51    49    55    60   0.15000  1.0 3.0
   55    57    62    33   0.23450  1.0 1.0
   55    57    62    33   0.02050 -1.0 2.0
   55    57    62    33   0.25250  1.0 3.0
   55    57   -62    45   0.23450  1.0 1.0
   55    57   -62    45   0.02050 -1.0 2.0
   55    57   -62    45   0.25250  1.0 3.0
   55    60    63    64   0.15000  1.0 3.0
   55    60    63    65   0.15000  1.0 3.0
   55    60    63    66   0.56750  1.0 1.0
   55    60    63    66  -0.07550 -1.0 2.0
   55    60    63    66   0.20000  1.0 3.0
   55    60    75    72   0.47100  1.0 1.0
   55    60    75    76   0.17350  1.0 3.0
   55    60    75    52   0.47100  1.0 1.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    62   0.15000  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    63   0.15000  1.0 3.0
   56    55    60    75   0.19200  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    63   0.56750  1.0 1.0
   57    55    60    63  -0.07550 -1.0 2.0
   57    55    60    63   0.20000  1.0 3.0
   57    55    60    75   1.36600  1.0 1.0
   57    55    60    75  -0.11450 -1.0 2.0
   57    55    60    75   0.24250  1.0 3.0
   58    57    62    33   0.28000  1.0 3.0
   58    57    62    45   0.28000  1.0 3.0
   59    57    62    33   0.28000  1.0 3.0
   59    57    62    45   0.28000  1.0 3.0
   62    33    38    39   0.00000  1.0 1.0
   62    33   -38    40   0.90200  1.0 1.0
   62    33   -38    40   0.57900 -1.0 2.0
   62    33   -38    40  -0.62100  1.0 3.0
   62    45    47    48   0.15000  1.0 3.0
   62    45   -47    49   1.53400  1.0 1.0
   62    45   -47    49  -0.09950 -1.0 2.0
   62    45   -47    49   0.05700  1.0 3.0
   62    45    47    52   1.53400  1.0 1.0
   62    45    47    52  -0.09950 -1.0 2.0
   62    45    47    52   0.05700  1.0 3.0
   60    55    57    58   0.15000  1.0 3.0
   60    55    57    59   0.15000  1.0 3.0
   60    55    57    62   1.53400  1.0 1.0
   60    55    57    62  -0.09950 -1.0 2.0
   60    55    57    62   0.05700  1.0 3.0
   60    63    66    67   0.15000  1.0 3.0
   60    63    66    68   0.15000  1.0 3.0
   60    63    66    69   0.56750  1.0 1.0
   60    63    66    69  -0.07550 -1.0 2.0
   60    63    66    69   0.20000  1.0 3.0
   60    75   -52    47   0.47100  1.0 1.0
   60    75    52    53   0.15000  1.0 3.0
   60    75    52    54   0.15000  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    66   0.15000  1.0 3.0
   61    60    75    72   0.15000  1.0 3.0
   61    60    75    76   0.13050  1.0 3.0
   61    60    75    52   0.15000  1.0 3.0
   63    60    75    72   0.47100  1.0 1.0
   63    60    75    76   0.17350  1.0 3.0
   63    60    75    52   0.47100  1.0 1.0
   63    66    69    70   0.15000  1.0 3.0
   63    66    69    71   0.15000  1.0 3.0
   63    66   -69    72   0.56750  1.0 1.0
   63    66   -69    72  -0.07550 -1.0 2.0
   63    66   -69    72   0.20000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   66    69    72    73   0.15000  1.0 3.0
   66    69    72    74   0.15000  1.0 3.0
   66    69    72    75   1.36600  1.0 1.0
   66    69    72    75  -0.11450 -1.0 2.0
   66    69    72    75   0.24250  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    72   -75    60   0.47100  1.0 1.0
   69    72    75    76   0.17350  1.0 3.0
   69    72    75    52   0.47100  1.0 1.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    75   0.19200  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   71    69    72    75   0.19200  1.0 3.0
   72    75    52    47   0.47100  1.0 1.0
   72    75    52    53   0.15000  1.0 3.0
   72    75    52    54   0.15000  1.0 3.0
   73    72    75    60   0.15000  1.0 3.0
   73    72    75    76   0.13050  1.0 3.0
   73    72    75    52   0.15000  1.0 3.0
   74    72    75    60   0.15000  1.0 3.0
   74    72    75    76   0.13050  1.0 3.0
   74    72    75    52   0.15000  1.0 3.0
   75    60    63    64   0.19200  1.0 3.0
   75    60    63    65   0.19200  1.0 3.0
   75    60   -63    66   1.36600  1.0 1.0
   75    60   -63    66  -0.11450 -1.0 2.0
   75    60   -63    66   0.24250  1.0 3.0
   76    75    52    47   0.17350  1.0 3.0
   76    75    52    53   0.13050  1.0 3.0
   76    75    52    54   0.13050  1.0 3.0
   52    47    49    50   0.15000  1.0 3.0
   52    47    49    51   0.15000  1.0 3.0
   52    47   -49    55   0.56750  1.0 1.0
   52    47   -49    55  -0.07550 -1.0 2.0
   52    47   -49    55   0.20000  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
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
END
