* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    163    262     477
    1     0 S   NP   _N1_     1    29.66635    92.39582   -17.66783
    2     1 S   H    _HN1     2     1.02805    26.80008    97.80286
    3     1 S   H    _H1_     3     1.02886    92.25382   -30.16834
    4     1 S   H    _H2_     4     1.03392   133.52211    84.81107
    5     1 S   CT   _CA1     5     1.50270    99.14695  -143.09030
    6     5 S   HC   _HA1     6     1.09681   104.70628    37.32842
    7     5 S   CO3  _C1_     7     1.54348   111.11358   -78.88345
    8     7 S   O2Z  _O11     8     1.26084   116.69166  -114.26817
    9     7 S   O2Z  _O12     9     1.26595   113.82951    64.85648
   10     5 S   CT   _CB1    10     1.52918   106.92565   153.22645
   11    10 S   HC   HB11    11     1.09812   109.86520   -45.03140
   12    10 S   HC   HB12    12     1.09758   109.92570    71.12697
   13    10 S   CT   _CG1    13     1.53132   112.88568  -165.29034
   14    13 S   HC   HG11    14     1.09480   111.87775   -58.70801
   15    13 S   HC   HG12    15     1.09591   110.53231    60.74958
   16    13 S   C    _CD1    16     1.51405   109.75566  -179.68847
   17    16 S   O    _OE1    17     1.22800   122.01713  -102.53959
   18    16 S   N    _N2_    18     1.38239   112.45909    75.54717
   19    18 S   H    _HN2    19     1.01610   118.88205     8.52316
   20    18 S   CT1  _CA2    20     1.45688   123.30833  -174.56700
   21    20 S   HC   _HA2    21     1.09720   108.93041    20.30397
   22    20 S   C    _C2_    22     1.52769   107.60024   -97.30877
   23    22 S   O    _O2_    23     1.22936   122.97076   -26.27320
   24    20 S   CT   _CB2    32     1.53268   111.45999   142.84205
   25    24 S   HC   HB21    33     1.09464   109.60063    58.07619
   26    24 S   HC   HB22    34     1.09513   110.65134   176.67905
   27    22 S   N    _N3_    24     1.38634   112.32510   156.80797
   28    27 S   H    _HN3    25     1.01490   119.71654     0.39762
   29    24 S   S    _SG2    35     1.82915   111.03469   -63.20126
   30    27 S   CT   _CA3    26     1.45429   122.74981   174.58485
   31    30 S   HC   HA31    27     1.09543   108.86870    32.04907
   32    30 S   HC   HA32    28     1.09475   107.18801   149.21198
   33    29 S   CT   _C14    36     1.83967    99.74800   166.66653
   34    33 S   HC   _H7_    37     1.09979   103.15308    48.75893
   35    30 S   CO3  _C3_    29     1.53097   113.70500   -90.80676
   36    35 S   O2Z  _O31    30     1.26372   115.92334   -27.88998
   37    35 S   O2Z  _O32    31     1.26428   114.60473   152.94659
   38    33 S   CT   _C13    38     1.55291   111.33819   160.95470
   39    38 S   HC   _H6_    39     1.10062   108.52995   -50.28438
   40    33 S   CT   _C6_    55     1.56606   116.50120   -67.00388
   41    40 S   HC   _H3_    56     1.10032   105.49753    82.66426
   42    38 S   CT   _C9_    40     1.54835   108.52332  -164.01083
   43    42 S   HC   _H5_    41     1.10212   106.04473    84.12702
   44    40 S   CT   _C5_    57     1.54846   115.79212   -33.95011
   45    44 S   HC   _H12    58     1.09410   110.76841   -59.40244
   46    44 S   HC   _H13    59     1.09436   110.06647    58.33890
   47    38 S   C    _C15    64     1.53813   112.17668    67.07991
   48    47 S   O    _O34    65     1.22816   123.39889    84.67132
   49    42 S   CT   _C10    42     1.53340   117.39000  -157.63341
   50    49 S   HC   _H16    43     1.09253   112.75691    45.52297
   51    49 S   HC   _H17    44     1.09466   111.88122   -75.71864
   52    44 S   CT   _C4_    60     1.52488   113.70753   177.83716
   53    52 S   HC   _H9_    61     1.09451   110.98905   -54.60474
   54    52 S   HC   _H10    62     1.09483   109.96491  -174.01929
   55    52 S   HC   _H11    63     1.09379   111.73013    66.78749
   56    47 S   N    _N4_    66     1.38776   112.89321   -94.37096
   57    56 S   H    _H20    67     1.01593   120.02801     2.96174
   58    49 S   CT   _C11    45     1.52204   104.93491   162.95473
   59    58 S   HC   _H18    46     1.09211   111.97239  -153.26407
   60    58 S   HC   _H19    47     1.09364   111.68133    81.85303
   61    56 S   C3T  _C16    68     1.44755   122.89564   178.31472
   62    58 S   CO4  _C12    48     1.50433   101.55555   -34.26262
   63    62 S   O    _O33    49     1.22476   123.65604  -158.38554
   64    61 S   C3T  _C17    69     1.52266   119.80428    58.72509
   65    64 S   HC   _H21    70     1.08425   118.41738    -1.56260
   66    64 S   HC   _H22    71     1.08429   118.51156  -145.34843
   67    61 S   CO3  _C21    81     1.48259   114.04780   -87.40284
   68    67 S   O2Z  _O36    82     1.27380   117.93281   -80.52882
   69    67 S   O2Z  _O35    83     1.27474   118.34625    98.44036
   70    42 S   CT   _C8_    50     1.54054   114.57157   -31.79079
   71    70 S   HC   _H4_    51     1.09745   109.28605    97.24916
   72    61 S   C3T  _C18    72     1.53153   117.50437   126.63525
   73    72 S   HC   _H8_    73     1.08612   117.60578    -4.14638
   74    70 S   CT   _C7_    52     1.51872   113.77530   -25.95687
   75    74 S   HC   _H14    53     1.09803   109.13574   179.34389
   76    74 S   HC   _H15    54     1.09554   109.72319   -66.07680
   77    72 S   CT   _C19    74     1.49950   124.02921   143.52676
   78    77 S   HC   _H23    75     1.09556   111.67618    27.97046
   79    77 S   HC   _H24    76     1.09647   108.54552   145.13620
   80    77 S   CT   _C20    77     1.52058   111.59651   -95.08910
   81    80 S   HC   _H25    78     1.09514   110.90830   -60.15207
   82    80 S   HC   _H26    79     1.09433   110.36333  -179.95154
   83    80 S   HC   _H27    80     1.09403   111.39905    59.71071
  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
  19   8   2   1   1  19   8  16   8  17   9  10   6   5   9   3
  10   6   5   4   2   1   1  11   4   7   4   3  12   6   3  11
   5   4   5   2   1   4   3   8   4   2   1   1   6   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    74    40    41    44    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    49    70    74    75    76    40    41    44    45    46    52    47    48    56  
   38    39    42    74    40    41    44    47  
   36    37  
   37  
    0  
   39    42    43    49    50    51    58    62    70    71    74    40    41    44    47    48    56    57    61  
   42    43    49    70    40    47    48    56  
   41    44    45    46    52    53    54    55    47    42    62    70    71    74    75    76  
   44    45    46    52    70    74    75    76  
   43    49    50    51    58    59    60    62    63    70    71    74    75    76    47    48    56  
   49    50    51    58    62    70    71    74    47  
   45    46    52    53    54    55    70    74    75    76  
   46    52    53    54    55    74  
   52    53    54    55    74  
   48    56    57    61    64    72    67    49    70  
   56    57    61  
   50    51    58    59    60    62    63    70    71    74  
   51    58    59    60    62    70  
   58    59    60    62    70  
   53    54    55    74  
   54    55  
   55  
    0  
   57    61    64    65    66    72    73    77    67    68    69  
   61    64    72    67  
   59    60    62    63    70    71    74  
   60    62    63    70  
   62    63    70  
   64    65    66    72    73    77    78    79    80    67    68    69  
   63    70    71    74    75    76  
   70    71    74  
   65    66    72    73    77    78    79    80    67    68    69  
   66    72    73    77    67  
   72    73    77    67  
   68    69    72    73    77  
   69    72  
   72  
   71    74    75    76  
   74    75    76  
   73    77    78    79    80    81    82    83  
   77    78    79    80  
   75    76  
   76  
    0  
   78    79    80    81    82    83  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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   0.107500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.2500   0.1700  -0.422500   1.8100   1.6000   0.054801302  -1.445846770
   57   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.122500   1.9750   1.7500   0.005000000  -0.741685710
   62   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    47   317.000  1.522
   42    43   340.000  1.090
   42    49   268.000  1.529
   42    70   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   317.000  1.522
   62    63   570.000  1.229
   62    70   317.000  1.522
   70    71   340.000  1.090
   70    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    40   268.000  1.529
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   47    48   570.000  1.229
   47    56   490.000  1.335
   56    57   434.000  1.010
   56    61   330.000  1.419
   61    64   260.000  1.509
   61    72   260.000  1.509
   61    67   317.000  1.522
   64    65   340.000  1.088
   64    66   340.000  1.088
   64    72   260.000  1.509
   72    73   340.000  1.088
   72    77   275.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   67    68   656.000  1.250
   67    69   656.000  1.250
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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    47    63.00000  111.10000
   33    40    74    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    49    58.35000  112.70000
   38    42    70    58.35000  112.70000
   38    47    48    80.00000  120.40000
   38    47    56    70.00000  116.60000
   42    38    39    37.50000  110.70000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    58    58.35000  112.70000
   42    70    62    63.00000  111.10000
   42    70    71    37.50000  110.70000
   42    70    74    58.35000  112.70000
   49    42    43    37.50000  110.70000
   49    58    59    37.50000  110.70000
   49    58    60    37.50000  110.70000
   49    58    62    63.00000  111.10000
   51    49    50    33.00000  107.80000
   58    49    50    37.50000  110.70000
   58    49    51    37.50000  110.70000
   58    62    63    80.00000  120.40000
   58    62    70    70.00000  116.00000
   60    58    59    33.00000  107.80000
   62    58    59    35.00000  109.50000
   62    58    60    35.00000  109.50000
   62    70    71    35.00000  109.50000
   62    70    74    63.00000  111.10000
   70    42    43    37.50000  110.70000
   70    42    49    58.35000  112.70000
   70    62    63    80.00000  120.40000
   70    74    75    37.50000  110.70000
   70    74    76    37.50000  110.70000
   70    74    40    58.35000  112.70000
   74    70    71    37.50000  110.70000
   74    40    41    37.50000  110.70000
   74    40    44    58.35000  112.70000
   76    74    75    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    74    75    37.50000  110.70000
   40    74    76    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    52    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    52    53    37.50000  110.70000
   44    52    54    37.50000  110.70000
   44    52    55    37.50000  110.70000
   46    44    45    33.00000  107.80000
   52    44    45    37.50000  110.70000
   52    44    46    37.50000  110.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   47    38    39    35.00000  109.50000
   47    38    42    63.00000  111.10000
   47    56    57    35.00000  119.80000
   47    56    61    70.00000  123.36000
   56    47    48    80.00000  122.90000
   56    61    64    70.00000  118.23000
   56    61    72    70.00000  118.23000
   56    61    67    63.00000  110.10000
   61    56    57    38.00000  118.40000
   61    64    65    37.50000  117.20000
   61    64    66    37.50000  117.20000
   61    64    72    10.00000   60.00500
   61    72    64    10.00000   60.00500
   61    72    73    37.50000  117.20000
   61    72    77    60.00000  120.94000
   61    67    68    70.00000  117.00000
   61    67    69    70.00000  117.00000
   64    72    73    37.50000  117.20000
   64    72    77    60.00000  120.94000
   66    64    65    35.00000  114.30000
   72    61    64    10.00000   60.00500
   72    64    65    37.50000  117.20000
   72    64    66    37.50000  117.20000
   72    77    78    45.00000  109.38400
   72    77    79    45.00000  109.38400
   72    77    80    70.00000  112.37300
   77    72    73    40.00000  115.04500
   77    80    81    37.50000  110.70000
   77    80    82    37.50000  110.70000
   77    80    83    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    37.50000  110.70000
   80    77    79    37.50000  110.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   67    61    64    65.00000  116.19300
   67    61    72    65.00000  116.19300
   69    67    68    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    47   0.56750  1.0 1.0
   29    33    38    47  -0.07550 -1.0 2.0
   29    33    38    47   0.20000  1.0 3.0
   29    33    40    74   0.44750  1.0 1.0
   29    33    40    74  -0.17800 -1.0 2.0
   29    33    40    74   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    49   0.56750  1.0 1.0
   33    38    42    49  -0.07550 -1.0 2.0
   33    38    42    49   0.20000  1.0 3.0
   33    38    42    70   0.56750  1.0 1.0
   33    38    42    70  -0.07550 -1.0 2.0
   33    38    42    70   0.20000  1.0 3.0
   33    38    47    48   0.30150 -1.0 2.0
   33    38    47    56   1.39750  1.0 1.0
   33    38    47    56  -0.07950 -1.0 2.0
   33    38    47    56  -0.18750  1.0 3.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    52   0.56750  1.0 1.0
   33    40    44    52  -0.07550 -1.0 2.0
   33    40    44    52   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    47  -0.11250  1.0 3.0
   34    33    40    74   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   38    33    40    74   0.56750  1.0 1.0
   38    33    40    74  -0.07550 -1.0 2.0
   38    33    40    74   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.56750  1.0 1.0
   38    33    40    44  -0.07550 -1.0 2.0
   38    33    40    44   0.20000  1.0 3.0
   38    42    49    50   0.15000  1.0 3.0
   38    42    49    51   0.15000  1.0 3.0
   38    42    49    58   0.56750  1.0 1.0
   38    42    49    58  -0.07550 -1.0 2.0
   38    42    49    58   0.20000  1.0 3.0
   38    42    70    62  -0.95700  1.0 1.0
   38    42    70    62  -0.18200 -1.0 2.0
   38    42    70    62   0.29450  1.0 3.0
   38    42    70    71   0.15000  1.0 3.0
   38    42   -70    74   0.56750  1.0 1.0
   38    42   -70    74  -0.07550 -1.0 2.0
   38    42   -70    74   0.20000  1.0 3.0
   38    47    56    57   2.45000 -1.0 2.0
   38    47    56    61   1.49850  1.0 1.0
   38    47    56    61   1.53950 -1.0 2.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    49   0.15000  1.0 3.0
   39    38    42    70   0.15000  1.0 3.0
   39    38    47    48   0.00000  1.0 1.0
   39    38    47    56   0.00000  1.0 1.0
   42    38    47    48   0.30150 -1.0 2.0
   42    38    47    56   1.39750  1.0 1.0
   42    38    47    56  -0.07950 -1.0 2.0
   42    38    47    56  -0.18750  1.0 3.0
   42    49    58    59   0.15000  1.0 3.0
   42    49    58    60   0.15000  1.0 3.0
   42    49   -58    62  -0.95700  1.0 1.0
   42    49   -58    62  -0.18200 -1.0 2.0
   42    49   -58    62   0.29450  1.0 3.0
   42    70    74    75   0.15000  1.0 3.0
   42    70    74    76   0.15000  1.0 3.0
   42    70    74    40   0.56750  1.0 1.0
   42    70    74    40  -0.07550 -1.0 2.0
   42    70    74    40   0.20000  1.0 3.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    51   0.15000  1.0 3.0
   43    42    49    58   0.15000  1.0 3.0
   43    42    70    62  -0.11250  1.0 3.0
   43    42    70    71   0.15000  1.0 3.0
   43    42    70    74   0.15000  1.0 3.0
   49    42   -70    62  -0.95700  1.0 1.0
   49    42   -70    62  -0.18200 -1.0 2.0
   49    42   -70    62   0.29450  1.0 3.0
   49    42    70    71   0.15000  1.0 3.0
   49    42    70    74   0.56750  1.0 1.0
   49    42    70    74  -0.07550 -1.0 2.0
   49    42    70    74   0.20000  1.0 3.0
   49    58    62    63   0.30150 -1.0 2.0
   49    58   -62    70   0.60050  1.0 1.0
   49    58   -62    70   0.05600 -1.0 2.0
   49    58   -62    70   0.26150  1.0 3.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    60   0.15000  1.0 3.0
   50    49    58    62  -0.11250  1.0 3.0
   51    49    58    59   0.15000  1.0 3.0
   51    49    58    60   0.15000  1.0 3.0
   51    49    58    62  -0.11250  1.0 3.0
   58    62   -70    42   0.60050  1.0 1.0
   58    62   -70    42   0.05600 -1.0 2.0
   58    62   -70    42   0.26150  1.0 3.0
   58    62    70    71   0.00000  1.0 1.0
   58    62    70    74   0.60050  1.0 1.0
   58    62    70    74   0.05600 -1.0 2.0
   58    62    70    74   0.26150  1.0 3.0
   59    58    62    63   0.00000  1.0 1.0
   59    58    62    70   0.00000  1.0 1.0
   60    58    62    63   0.00000  1.0 1.0
   60    58    62    70   0.00000  1.0 1.0
   62    70    74    75  -0.11250  1.0 3.0
   62    70    74    76  -0.11250  1.0 3.0
   62    70    74    40  -0.95700  1.0 1.0
   62    70    74    40  -0.18200 -1.0 2.0
   62    70    74    40   0.29450  1.0 3.0
   63    62    70    42   0.30150 -1.0 2.0
   63    62    70    71   0.00000  1.0 1.0
   63    62    70    74   0.30150 -1.0 2.0
   70    42    49    50   0.15000  1.0 3.0
   70    42    49    51   0.15000  1.0 3.0
   70    42   -49    58   0.56750  1.0 1.0
   70    42   -49    58  -0.07550 -1.0 2.0
   70    42   -49    58   0.20000  1.0 3.0
   70    74   -40    33   0.56750  1.0 1.0
   70    74   -40    33  -0.07550 -1.0 2.0
   70    74   -40    33   0.20000  1.0 3.0
   70    74    40    41   0.15000  1.0 3.0
   70    74    40    44   0.56750  1.0 1.0
   70    74    40    44  -0.07550 -1.0 2.0
   70    74    40    44   0.20000  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    76   0.15000  1.0 3.0
   71    70    74    40   0.15000  1.0 3.0
   74    40    44    45   0.15000  1.0 3.0
   74    40    44    46   0.15000  1.0 3.0
   74    40    44    52   0.56750  1.0 1.0
   74    40    44    52  -0.07550 -1.0 2.0
   74    40    44    52   0.20000  1.0 3.0
   75    74    40    33   0.15000  1.0 3.0
   75    74    40    41   0.15000  1.0 3.0
   75    74    40    44   0.15000  1.0 3.0
   76    74    40    33   0.15000  1.0 3.0
   76    74    40    41   0.15000  1.0 3.0
   76    74    40    44   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42   0.56750  1.0 1.0
   40    33   -38    42  -0.07550 -1.0 2.0
   40    33   -38    42   0.20000  1.0 3.0
   40    33    38    47  -0.95700  1.0 1.0
   40    33    38    47  -0.18200 -1.0 2.0
   40    33    38    47   0.29450  1.0 3.0
   40    44    52    53   0.15000  1.0 3.0
   40    44    52    54   0.15000  1.0 3.0
   40    44    52    55   0.15000  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    52   0.15000  1.0 3.0
   45    44    52    53   0.15000  1.0 3.0
   45    44    52    54   0.15000  1.0 3.0
   45    44    52    55   0.15000  1.0 3.0
   46    44    52    53   0.15000  1.0 3.0
   46    44    52    54   0.15000  1.0 3.0
   46    44    52    55   0.15000  1.0 3.0
   47    38    42    43  -0.11250  1.0 3.0
   47    38    42    49  -0.95700  1.0 1.0
   47    38    42    49  -0.18200 -1.0 2.0
   47    38    42    49   0.29450  1.0 3.0
   47    38    42    70  -0.95700  1.0 1.0
   47    38    42    70  -0.18200 -1.0 2.0
   47    38    42    70   0.29450  1.0 3.0
   47    56    61    64   1.23350  1.0 1.0
   47    56    61    64   1.27900 -1.0 2.0
   47    56    61    72   1.23350  1.0 1.0
   47    56    61    72   1.27900 -1.0 2.0
   47    56    61    67  -0.29800  1.0 1.0
   47    56    61    67   0.13950 -1.0 2.0
   47    56    61    67  -2.45650  1.0 3.0
   48    47    56    57   2.45000 -1.0 2.0
   48    47    56    61   0.74200  1.0 1.0
   48    47    56    61   3.75300 -1.0 2.0
   56    61    64    65   0.15000  1.0 3.0
   56    61    64    66   0.15000  1.0 3.0
   56    61   -64    72   0.43900  1.0 1.0
   56    61   -64    72   0.49100 -1.0 2.0
   56    61   -64    72   0.28400  1.0 3.0
   56    61   -72    64   0.43900  1.0 1.0
   56    61   -72    64   0.49100 -1.0 2.0
   56    61   -72    64   0.28400  1.0 3.0
   56    61    72    73   0.15000  1.0 3.0
   56    61    72    77   0.43900  1.0 1.0
   56    61    72    77   0.49100 -1.0 2.0
   56    61    72    77   0.28400  1.0 3.0
   56    61    67    68   0.00000  1.0 1.0
   56    61    67    69   0.00000  1.0 1.0
   57    56    61    64   0.00000  1.0 1.0
   57    56    61    72   0.00000  1.0 1.0
   57    56    61    67   0.00000  1.0 1.0
   61    64   -72    73   0.15000  1.0 3.0
   61    64   -72    77   0.07850  1.0 1.0
   61    64   -72    77  -0.03950 -1.0 2.0
   61    64   -72    77   0.67350  1.0 3.0
   61    72    77    78   0.15000  1.0 3.0
   61    72    77    79   0.15000  1.0 3.0
   61    72    77    80   0.07850  1.0 1.0
   61    72    77    80  -0.03950 -1.0 2.0
   61    72    77    80   0.67350  1.0 3.0
   64    61   -72    73   0.15000  1.0 3.0
   64    61   -72    77   0.07850  1.0 1.0
   64    61   -72    77  -0.03950 -1.0 2.0
   64    61   -72    77   0.67350  1.0 3.0
   64    61    67    68   0.41150 -1.0 2.0
   64    61    67    69   0.41150 -1.0 2.0
   64    72    77    78   0.15000  1.0 3.0
   64    72    77    79   0.15000  1.0 3.0
   64    72    77    80   0.07850  1.0 1.0
   64    72    77    80  -0.03950 -1.0 2.0
   64    72    77    80   0.67350  1.0 3.0
   65    64   -72    61   0.15000  1.0 3.0
   65    64    72    73   0.15000  1.0 3.0
   65    64    72    77   0.15000  1.0 3.0
   66    64   -72    61   0.15000  1.0 3.0
   66    64    72    73   0.15000  1.0 3.0
   66    64    72    77   0.15000  1.0 3.0
   72    61   -64    65   0.15000  1.0 3.0
   72    61   -64    66   0.15000  1.0 3.0
   72    61    67    68   0.41150 -1.0 2.0
   72    61    67    69   0.41150 -1.0 2.0
   72    77    80    81   0.15000  1.0 3.0
   72    77    80    82   0.15000  1.0 3.0
   72    77    80    83   0.15000  1.0 3.0
   73    72    77    78   0.15000  1.0 3.0
   73    72    77    79   0.15000  1.0 3.0
   73    72    77    80   0.15000  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    82   0.15000  1.0 3.0
   78    77    80    83   0.15000  1.0 3.0
   79    77    80    81   0.15000  1.0 3.0
   79    77    80    82   0.15000  1.0 3.0
   79    77    80    83   0.15000  1.0 3.0
   67    61    64    65   0.15000  1.0 3.0
   67    61    64    66   0.15000  1.0 3.0
   67    61   -64    72  -1.63150  1.0 1.0
   67    61   -64    72  -0.43550 -1.0 2.0
   67    61   -64    72   0.24500  1.0 3.0
   67    61   -72    64  -1.63150  1.0 1.0
   67    61   -72    64  -0.43550 -1.0 2.0
   67    61   -72    64   0.24500  1.0 3.0
   67    61    72    73   0.15000  1.0 3.0
   67    61    72    77  -1.63150  1.0 1.0
   67    61    72    77  -0.43550 -1.0 2.0
   67    61    72    77   0.24500  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
   58    70    62    63  10.50000 -1.0 2.0
   38    56    47    48  10.50000 -1.0 2.0
   57    47    56    61   1.00000 -1.0 2.0
   68    61    67    69  10.50000 -1.0 2.0
END
