* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    139    213     408
    1     0 S   NP   _N1_     1    28.77080    96.62263   -23.75239
    2     1 S   H    _HN1     2     1.02828    38.48764   169.99637
    3     1 S   H    _H1_     3     1.02794   109.46821   -95.48679
    4     1 S   H    _H2_     4     1.02949    70.27936     7.71075
    5     1 S   CT   _CA1     5     1.50123   135.15229   107.21939
    6     5 S   HC   _HA1     6     1.09574   105.17098    95.56535
    7     5 S   CO3  _C1_     7     1.53776   112.44703   -24.65224
    8     7 S   O2Z  _O11     8     1.26376   115.00745   -43.01201
    9     7 S   O2Z  _O12     9     1.26238   114.94494   136.01248
   10     5 S   CT   _CB1    10     1.53062   107.40241  -146.47068
   11    10 S   HC   HB11    11     1.09840   109.34684   -49.43869
   12    10 S   HC   HB12    12     1.09811   110.47342    67.16099
   13    10 S   CT   _CG1    13     1.53009   112.62346  -170.37537
   14    13 S   HC   HG11    14     1.09573   110.70752   -66.76168
   15    13 S   HC   HG12    15     1.09671   109.71771    52.48187
   16    13 S   C    _CD1    16     1.51810   112.04784   172.95817
   17    16 S   O    _OE1    17     1.22752   123.19872    10.88334
   18    16 S   N    _N2_    18     1.38638   111.78865  -169.09644
   19    18 S   H    _HN2    19     1.01570   119.02978     1.14739
   20    18 S   CT1  _CA2    20     1.46234   123.42666   177.13420
   21    20 S   HC   _HA2    21     1.09743   109.24319     8.17861
   22    20 S   C    _C2_    22     1.53709   109.07965  -107.36134
   23    22 S   O    _O2_    23     1.23097   122.21333  -150.21121
   24    20 S   CT   _CB2    32     1.53424   111.57359   130.12408
   25    24 S   HC   HB21    33     1.09532   109.72652    56.63317
   26    24 S   HC   HB22    34     1.09326   109.68477   175.34015
   27    22 S   N    _N3_    24     1.38305   113.94845    37.33625
   28    27 S   H    _HN3    25     1.01537   119.61175    -3.26351
   29    24 S   S    _SG2    35     1.83234   111.15096   -64.64098
   30    27 S   CT   _CA3    26     1.45278   123.27960   177.16890
   31    30 S   HC   HA31    27     1.09548   107.51615   -64.72708
   32    30 S   HC   HA32    28     1.09556   107.99159    51.72823
   33    29 S   CT   _C14    36     1.86056   101.50956   179.29891
   34    33 S   OM   _O36    37     1.32287   108.45110   -65.22165
   35    30 S   CO3  _C3_    29     1.52974   114.05081   173.73293
   36    35 S   O2Z  _O31    30     1.26383   116.08470    -0.22900
   37    35 S   O2Z  _O32    31     1.26426   114.41294   179.82754
   38    33 S   CM   _C13    38     1.51335   107.64770  -178.92516
   39    38 S   HC   _H9_    39     1.09041   118.26321    41.20884
   40    38 S   CM   _C12    40     1.34475   124.59205  -140.41041
   41    40 S   HC   _H8_    41     1.08976   116.51634  -177.51588
   42    40 S   CT   _C11    42     1.52372   126.84208    -0.31528
   43    42 S   CA   _C9_    43     1.55917   116.38178   111.40252
   44    42 S   CO4  _C16    65     1.55367   105.23598   -13.02057
   45    44 S   O    _O34    66     1.23404   122.65060  -135.10840
   46    42 S   CT   _C19    75     1.54776   105.13596  -128.20721
   47    46 S   HC   _H13    76     1.09770   111.35453    53.73798
   48    46 S   HC   _H14    77     1.09728   111.31791   -66.48501
   49    46 S   HC   _H15    78     1.09479   112.86015   173.17677
   50    43 S   CA   _C8_    44     1.41872   120.28495  -171.75819
   51    33 S   CT   _C15    67     1.55626   114.27348    57.22534
   52    51 S   HC   _H3_    68     1.10215   109.06407   -80.49653
   53    50 S   CA   _C7_    45     1.40676   122.19315   178.26720
   54    50 S   OH   _O37    63     1.37155   118.39336    -2.97651
   55    54 S   HO   _H16    64     0.97115   109.90519  -152.57020
   56    51 S   CO4  _C17    69     1.53563   116.61062    38.27699
   57    56 S   O    _O35    70     1.23011   123.56797    30.56038
   58    53 S   CA   _C6_    46     1.39734   119.84623     3.99905
   59    53 S   CO4  _C20    57     1.48340   121.33065  -175.07475
   60    59 S   O    _O38    58     1.22762   119.21956  -128.96512
   61    56 S   CT   _C18    71     1.50877   116.07638  -150.71764
   62    61 S   HC   _H10    72     1.09249   109.51405    69.48651
   63    61 S   HC   _H11    73     1.09228   109.85115   -51.48929
   64    61 S   HC   _H12    74     1.09351   109.68720  -170.80888
   65    58 S   CA   _C5_    47     1.39919   120.46105    -1.69304
   66    58 S   OH   _O39    55     1.37193   121.64057   178.94538
   67    66 S   HO   _H20    56     0.97289   109.68353   -12.45522
   68    59 S   CT   _C21    59     1.50590   118.55859    53.00020
   69    68 S   HC   _H17    60     1.09384   108.80620   130.52453
   70    68 S   HC   _H18    61     1.09247   111.46246    12.01688
   71    68 S   HC   _H19    62     1.09260   109.65605  -109.45680
   72    43 S   CA   _C10    48     1.41892   123.91278     9.52281
   73    65 S   CT   _C4_    51     1.50859   120.34724   179.83449
   74    73 S   HC   _H4_    52     1.09452   109.91660   102.42535
   75    73 S   HC   _H5_    53     1.09532   110.63692  -136.57917
   76    73 S   HC   _H6_    54     1.09426   112.49642   -18.23720
   77    72 S   OH   _O33    49     1.37241   119.24420    -0.79648
   78    77 S   HO   _H7_    50     0.97054   109.83138  -152.90662
  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   9   5   4   3
  13   7   2   1   1  10   4  12   4  16  18  12   4   6   2   1
   1  11   7   3  14   4   1   5   4  12   7   4   3   2   1   1
   9   3   1   3   2   1   1   6   4   2   1   1   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    51    52    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    51    52    56    57    61  
   38    39    40    44    51    52    56  
   36    37  
   37  
    0  
   39    40    41    42    43    44    51    52    56    46  
   40    41    42    51  
   41    42    43    50    72    44    45    51    46    47    48    49  
   42    43    44    46  
   43    50    53    65    72    77    54    44    45    51    52    56    46    47    48    49  
   50    53    58    65    72    77    78    73    59    54    55    44    45    51    46    47    48    49  
   45    51    52    56    57    61    46    47    48    49    50    72  
   51    52    56    46  
   47    48    49    50    51    72  
   48    49  
   49  
    0  
   53    58    65    72    77    66    59    60    68    54    55  
   52    56    57    61    62    63    64  
   56    57    61  
   58    65    72    73    66    67    59    60    68    69    70    71    54    55  
   55    58    59    72  
    0  
   57    61    62    63    64  
   61    62    63    64  
   65    72    77    73    74    75    76    66    67    59    60    68  
   60    68    69    70    71    65    66  
   68    69    70    71  
   62    63    64  
   63    64  
   64  
    0  
   72    77    78    73    74    75    76    66    67  
   67    72    73  
    0  
   69    70    71  
   70    71  
   71  
    0  
   77    78    73    74    75    76  
   74    75    76    77  
   75    76  
   76  
    0  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   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   570.000  1.307
   33    38   317.000  1.510
   33    51   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   340.000  1.080
   40    42   317.000  1.510
   42    43   317.000  1.510
   42    44   317.000  1.522
   42    46   268.000  1.529
   43    50   469.000  1.400
   43    72   469.000  1.400
   50    53   469.000  1.400
   50    54   450.000  1.364
   53    58   469.000  1.400
   53    59   310.000  1.470
   58    65   469.000  1.400
   58    66   450.000  1.364
   65    72   469.000  1.400
   65    73   317.000  1.510
   72    77   450.000  1.364
   77    78   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   66    67   553.000  0.945
   59    60   570.000  1.229
   59    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   54    55   553.000  0.945
   44    45   570.000  1.229
   44    51   317.000  1.522
   51    52   340.000  1.090
   51    56   317.000  1.522
   56    57   570.000  1.229
   56    61   317.000  1.522
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    51    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    51    44    63.00000  111.10000
   33    51    52    37.50000  110.70000
   33    51    56    63.00000  111.10000
   38    33    34    85.00000  110.90400
   38    40    41    35.00000  120.00000
   38    40    42    70.00000  124.00000
   40    38    39    35.00000  120.00000
   40    42    43    70.00000  112.99600
   40    42    44    70.00000  109.06800
   40    42    46    70.00000  112.02700
   42    40    41    35.00000  117.00000
   42    43    50    70.00000  120.00000
   42    43    72    70.00000  120.00000
   42    44    45    80.00000  120.40000
   42    44    51    70.00000  116.00000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   43    50    53    63.00000  120.00000
   43    50    54    70.00000  120.00000
   43    72    65    63.00000  120.00000
   43    72    77    70.00000  120.00000
   50    53    58    63.00000  120.00000
   50    53    59    60.00000  119.52600
   50    54    55    35.00000  113.00000
   53    58    65    63.00000  120.00000
   53    58    66    70.00000  120.00000
   53    59    60    75.00000  123.78400
   53    59    68    65.00000  115.47100
   58    65    72    63.00000  120.00000
   58    65    73    70.00000  120.00000
   58    66    67    35.00000  113.00000
   65    72    77    70.00000  120.00000
   65    73    74    35.00000  109.50000
   65    73    75    35.00000  109.50000
   65    73    76    35.00000  109.50000
   72    43    50    63.00000  120.00000
   72    77    78    35.00000  113.00000
   73    65    72    70.00000  120.00000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   66    58    65    70.00000  120.00000
   59    53    58    60.00000  119.52600
   59    68    69    35.00000  109.50000
   59    68    70    35.00000  109.50000
   59    68    71    35.00000  109.50000
   68    59    60    80.00000  120.40000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   54    50    53    70.00000  120.00000
   44    42    43    70.00000  110.93000
   44    51    52    35.00000  109.50000
   44    51    56    75.00000  107.99600
   51    33    34    50.00000  109.50000
   51    33    38    70.00000  112.02700
   51    44    45    80.00000  120.40000
   51    56    57    80.00000  120.40000
   51    56    61    70.00000  116.00000
   56    51    52    35.00000  109.50000
   56    61    62    35.00000  109.50000
   56    61    63    35.00000  109.50000
   56    61    64    35.00000  109.50000
   61    56    57    80.00000  120.40000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   46    42    43    70.00000  112.17500
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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    51    44   0.56750  1.0 1.0
   29    33    51    44  -0.07550 -1.0 2.0
   29    33    51    44   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    56   0.56750  1.0 1.0
   29    33    51    56  -0.07550 -1.0 2.0
   29    33    51    56   0.20000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    51    56    57   0.30150 -1.0 2.0
   33    51    56    61   0.60050  1.0 1.0
   33    51    56    61   0.05600 -1.0 2.0
   33    51    56    61   0.26150  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.39000  1.0 1.0
   34    33    38    40  -0.05800 -1.0 2.0
   34    33    38    40  -0.55150  1.0 3.0
   34    33    51    44  -0.09450  1.0 1.0
   34    33    51    44  -1.12950 -1.0 2.0
   34    33    51    44   0.54000  1.0 3.0
   34    33    51    52   0.23400  1.0 3.0
   34    33    51    56  -0.09450  1.0 1.0
   34    33    51    56  -1.12950 -1.0 2.0
   34    33    51    56   0.54000  1.0 3.0
   38    33    51    44  -0.98800  1.0 1.0
   38    33    51    44   0.48800 -1.0 2.0
   38    33    51    44   0.76800  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    56  -0.98800  1.0 1.0
   38    33    51    56   0.48800 -1.0 2.0
   38    33    51    56   0.76800  1.0 3.0
   38    40    42    43   1.44450  1.0 1.0
   38    40    42    43   0.06600 -1.0 2.0
   38    40    42    43   0.29250  1.0 3.0
   38    40   -42    44  -0.51250  1.0 1.0
   38    40   -42    44  -0.88800 -1.0 2.0
   38    40   -42    44   0.08850  1.0 3.0
   38    40    42    46   0.09850  1.0 1.0
   38    40    42    46   0.15250 -1.0 2.0
   38    40    42    46  -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    43    50   0.18050 -1.0 2.0
   40    42    43    72   0.18050 -1.0 2.0
   40    42    44    45   0.30150 -1.0 2.0
   40    42    44    51   0.65300  1.0 1.0
   40    42    44    51  -0.03850 -1.0 2.0
   40    42    44    51   0.33900  1.0 3.0
   40    42    46    47   0.15000  1.0 3.0
   40    42    46    48   0.15000  1.0 3.0
   40    42    46    49   0.15000  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    46   0.00000  1.0 1.0
   42    43    50    53   3.62500 -1.0 2.0
   42    43    50    54   3.62500 -1.0 2.0
   42    43    72    65   3.62500 -1.0 2.0
   42    43    72    77   3.62500 -1.0 2.0
   42    44   -51    33   0.60050  1.0 1.0
   42    44   -51    33   0.05600 -1.0 2.0
   42    44   -51    33   0.26150  1.0 3.0
   42    44    51    52   0.00000  1.0 1.0
   42    44    51    56   0.65300  1.0 1.0
   42    44    51    56  -0.03850 -1.0 2.0
   42    44    51    56   0.33900  1.0 3.0
   43    42    44    45   0.30150 -1.0 2.0
   43    42    44    51   0.65300  1.0 1.0
   43    42    44    51  -0.03850 -1.0 2.0
   43    42    44    51   0.33900  1.0 3.0
   43    42    46    47   0.43200  1.0 3.0
   43    42    46    48   0.43200  1.0 3.0
   43    42    46    49   0.43200  1.0 3.0
   43    50    53    58   3.62500 -1.0 2.0
   43    50    53    59   3.62500 -1.0 2.0
   43    50    54    55   0.84100 -1.0 2.0
   43    72    77    78   0.84100 -1.0 2.0
   50    43    72    65   3.62500 -1.0 2.0
   50    43    72    77   3.62500 -1.0 2.0
   50    53   -58    65   3.62500 -1.0 2.0
   50    53    58    66   3.62500 -1.0 2.0
   50    53    59    60   1.05000 -1.0 2.0
   50    53    59    68   2.26350  1.0 1.0
   50    53    59    68   0.76750 -1.0 2.0
   50    53    59    68   0.22500  1.0 3.0
   53    50    54    55   0.84100 -1.0 2.0
   53    58    65    72   3.62500 -1.0 2.0
   53    58    65    73   3.62500 -1.0 2.0
   53    58    66    67   0.84100 -1.0 2.0
   53    59    68    69   0.00000  1.0 1.0
   53    59    68    70   0.00000  1.0 1.0
   53    59    68    71   0.00000  1.0 1.0
   58    53    59    60   1.05000 -1.0 2.0
   58    53    59    68   2.26350  1.0 1.0
   58    53    59    68   0.76750 -1.0 2.0
   58    53    59    68   0.22500  1.0 3.0
   58    65   -72    43   3.62500 -1.0 2.0
   58    65    72    77   3.62500 -1.0 2.0
   58    65    73    74   0.00000  1.0 1.0
   58    65    73    75   0.00000  1.0 1.0
   58    65    73    76   0.00000  1.0 1.0
   65    58    66    67   0.84100 -1.0 2.0
   65    72    77    78   0.84100 -1.0 2.0
   72    43   -50    53   3.62500 -1.0 2.0
   72    43    50    54   3.62500 -1.0 2.0
   72    65    73    74   0.00000  1.0 1.0
   72    65    73    75   0.00000  1.0 1.0
   72    65    73    76   0.00000  1.0 1.0
   73    65    72    43   3.62500 -1.0 2.0
   73    65    72    77   3.62500 -1.0 2.0
   66    58    65    72   3.62500 -1.0 2.0
   66    58    65    73   3.62500 -1.0 2.0
   59    53    58    65   3.62500 -1.0 2.0
   59    53    58    66   3.62500 -1.0 2.0
   60    59    68    69   0.00000  1.0 1.0
   60    59    68    70   0.00000  1.0 1.0
   60    59    68    71   0.00000  1.0 1.0
   54    50    53    58   3.62500 -1.0 2.0
   54    50    53    59   3.62500 -1.0 2.0
   44    42    43    50   0.04300 -1.0 2.0
   44    42    43    72   0.04300 -1.0 2.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    49  -0.11250  1.0 3.0
   44    51    56    57   0.30150 -1.0 2.0
   44    51    56    61   0.65300  1.0 1.0
   44    51    56    61  -0.03850 -1.0 2.0
   44    51    56    61   0.33900  1.0 3.0
   45    44    51    33   0.30150 -1.0 2.0
   45    44    51    52   0.00000  1.0 1.0
   45    44    51    56   0.30150 -1.0 2.0
   51    33    38    39   0.00000  1.0 1.0
   51    33   -38    40   0.09850  1.0 1.0
   51    33   -38    40   0.15250 -1.0 2.0
   51    33   -38    40  -0.50650  1.0 3.0
   51    56    61    62   0.00000  1.0 1.0
   51    56    61    63   0.00000  1.0 1.0
   51    56    61    64   0.00000  1.0 1.0
   52    51    56    57   0.00000  1.0 1.0
   52    51    56    61   0.00000  1.0 1.0
   57    56    61    62   0.00000  1.0 1.0
   57    56    61    63   0.00000  1.0 1.0
   57    56    61    64   0.00000  1.0 1.0
   46    42    43    50   0.04150 -1.0 2.0
   46    42    43    72   0.04150 -1.0 2.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    51   0.60050  1.0 1.0
   46    42    44    51   0.05600 -1.0 2.0
   46    42    44    51   0.26150  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
   50    72    43    42   4.00000 -1.0 2.0
   53    54    50    43   4.00000 -1.0 2.0
   58    59    53    50   4.00000 -1.0 2.0
   65    66    58    53   4.00000 -1.0 2.0
   72    73    65    58   4.00000 -1.0 2.0
   65    77    72    43   4.00000 -1.0 2.0
   53    68    59    60  10.50000 -1.0 2.0
   42    51    44    45  10.50000 -1.0 2.0
   51    61    56    57  10.50000 -1.0 2.0
END
