* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    150    251     454
    1     0 S   NP   _N1_     1    28.62562    96.00844   -23.36645
    2     1 S   H    _HN1     2     1.02787   105.49518   -96.75550
    3     1 S   H    _H1_     3     1.02948    76.19770     8.82359
    4     1 S   H    _H2_     4     1.02828    33.89254   164.09978
    5     1 S   CT   _CA1     5     1.50120   136.39211   114.03958
    6     5 S   HC   _HA1     6     1.09574   105.17998    86.48148
    7     5 S   CO3  _C1_     7     1.53777   112.44716   -33.72713
    8     7 S   O2Z  _O11     8     1.26372   115.00569   -42.87906
    9     7 S   O2Z  _O12     9     1.26238   114.94193   136.17971
   10     5 S   CT   _CB1    10     1.53071   107.40953  -155.56341
   11    10 S   HC   HB11    11     1.09835   109.33746   -49.73294
   12    10 S   HC   HB12    12     1.09811   110.46917    66.86493
   13    10 S   CT   _CG1    13     1.53000   112.62115  -170.70111
   14    13 S   HC   HG11    14     1.09578   110.65793   -66.43530
   15    13 S   HC   HG12    15     1.09671   109.75668    52.79925
   16    13 S   C    _CD1    16     1.51810   112.15207   173.23752
   17    16 S   O    _OE1    17     1.22740   123.25599     8.64336
   18    16 S   N    _N2_    18     1.38657   111.72483  -171.39212
   19    18 S   H    _HN2    19     1.01579   118.96683     1.36673
   20    18 S   CT1  _CA2    20     1.46187   123.36881   176.95908
   21    20 S   HC   _HA2    21     1.09744   109.32630     4.53674
   22    20 S   C    _C2_    22     1.53626   108.80262  -110.90330
   23    22 S   O    _O2_    23     1.23072   122.23932  -149.17241
   24    20 S   CT   _CB2    32     1.53446   111.69515   126.46994
   25    24 S   HC   HB21    33     1.09553   109.74359    55.76054
   26    24 S   HC   HB22    34     1.09278   109.73959   174.21375
   27    22 S   N    _N3_    24     1.38313   113.80275    38.33688
   28    27 S   H    _HN3    25     1.01567   119.58844    -3.33666
   29    24 S   S    _SG2    35     1.83330   111.15909   -64.31318
   30    27 S   CT   _CA3    26     1.45282   123.25246   177.13926
   31    30 S   HC   HA31    27     1.09548   107.51543   -64.62475
   32    30 S   HC   HA32    28     1.09556   107.98751    51.82417
   33    29 S   CT   _C13    36     1.86712   102.88947  -161.14701
   34    30 S   CO3  _C3_    29     1.52968   114.05593   173.82524
   35    34 S   O2Z  _O31    30     1.26380   116.06955    -0.38614
   36    34 S   O2Z  _O32    31     1.26427   114.41327   179.67016
   37    33 S   CO4  _C14    37     1.51147   108.42311   -34.28852
   38    37 S   O    _O33    38     1.22249   126.09118   -61.50242
   39    33 S   CT   _C12    55     1.54553   110.55631  -155.42222
   40    39 S   HC   _H7_    56     1.09142   110.26246   139.16751
   41    37 S   OS   _O34    39     1.36316   110.26875   116.24860
   42    39 S   OH   _O35    57     1.41992   115.14767    20.42094
   43    42 S   HO   _H13    58     0.97249   107.68091  -176.71515
   44    41 S   CT   _C6_    40     1.43806   111.30362    19.97350
   45    44 S   HC   _H3_    41     1.09599   106.61334  -138.76386
   46    44 S   CT   _C7_    42     1.54074   107.06581   105.83212
   47    46 S   HC   _H4_    43     1.09469   110.84876    65.74896
   48    46 S   CT   _C8_    44     1.52067   115.08270  -164.97579
   49    48 S   HC   _H5_    45     1.10536   106.60230   178.37310
   50    48 S   CT   _C9_    46     1.53523    96.95540    69.55180
   51    50 S   HC   _H6_    47     1.09536   110.25896   163.70725
   52    48 S   CT   _C16    66     1.54039   120.09518   -63.56606
   53    50 S   CO4  _C15    48     1.50880    96.60361    50.30549
   54    53 S   O    _O37    49     1.21922   126.82221   144.53726
   55    50 S   CT   _C10    51     1.55508   116.38036   -66.95451
   56    52 S   CT   _C17    67     1.53613   110.03600   -62.53574
   57    56 S   HC   _H15    68     1.09643   110.90014  -178.48767
   58    56 S   HC   _H16    69     1.09556   111.10447    63.88708
   59    56 S   HC   _H17    70     1.09489   111.76793   -57.68327
   60    52 S   CT   _C18    71     1.53399   110.66608   176.64036
   61    60 S   HC   _H18    72     1.09635   110.91838   177.34067
   62    60 S   HC   _H19    73     1.09469   111.33577   -64.94290
   63    60 S   HC   _H20    74     1.09492   111.63598    56.60396
   64    52 S   OH   _O39    75     1.41378   111.94578    56.00842
   65    64 S   HO   _H21    76     0.97257   108.67726   177.00520
   66    46 S   OS   _O38    50     1.44959   109.58409   -51.83776
   67    55 S   CT   _C11    52     1.53864   113.49060   158.84561
   68    67 S   HC   _H11    53     1.09874   111.03712   148.46098
   69    67 S   HC   _H12    54     1.09585   112.90211    30.52615
   70    33 S   CT   _C5_    59     1.57571   118.09464    83.61262
   71    55 S   OH   _O36    64     1.43279   105.89885   -84.96376
   72    71 S   HO   _H14    65     0.97267   108.32663   -62.77997
   73    70 S   CT   _C4_    60     1.55154   111.90439    -4.25289
   74    73 S   HC   _H8_    61     1.09567   111.64423    59.51777
   75    73 S   HC   _H9_    62     1.09316   112.11645   -62.56501
   76    73 S   HC   _H10    63     1.08991   112.81747   178.66250
  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  12   5   4   3
  21   2   1   1  12   4  13   7   9   6   1  17   7  15   7  21
   9  16   8  13   6   2  11   9   4   3   2   5   3   2   1   1
   1   1   6   3   2   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    70    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    44    55    67    39    40    42    70    73  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    44    45    46    50    55    67    68    69    39    40    42    43    70    73    74    75    76    71  
   35    36  
   36  
    0  
   38    41    44    45    46    55    67    39    40    42    70    73  
   41    44    39    70  
   40    42    43    70    73    71    41    44    50    55    67    68    69  
   42    43    70    55    67    68    69  
   44    45    46    47    48    66    55    70    73  
   43    70    55    67    68    69  
   67  
   45    46    47    48    49    50    53    66    55    67    70    73    74    75    76    71    52  
   46    47    48    66    55    70    73  
   47    48    49    50    51    53    54    66    55    70    73    52    56    60    64  
   48    49    50    53    66    70    52  
   49    50    51    53    54    66    55    67    70    71    52    56    57    58    59    60    61    62    63    64    65  
   50    51    53    66    55    52    56    60    64  
   51    53    54    66    55    67    68    69    70    73    71    72    52    56    60    64  
   53    54    66    55    67    70    71    52  
   56    57    58    59    60    61    62    63    64    65    53    55    66  
   54    66    55    67    70    71  
   66    55  
   67    68    69    70    73    74    75    76    71    72    66  
   57    58    59    60    61    62    63    64    65  
   58    59    60    64  
   59    60    64  
   60    64  
   61    62    63    64    65  
   62    63    64  
   63    64  
   64  
   65  
    0  
   70  
   68    69    70    73    71    72  
   69    70    71  
   70    71  
   73    74    75    76    71    72  
   72    73  
    0  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660  -0.180000   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   268.000  1.529
   33    70   268.000  1.529
   37    38   570.000  1.229
   37    41   214.000  1.327
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    70   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    66   320.000  1.410
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    52   268.000  1.529
   50    51   340.000  1.090
   50    53   317.000  1.522
   50    55   268.000  1.529
   53    54   570.000  1.229
   53    66   214.000  1.327
   55    67   268.000  1.529
   55    70   268.000  1.529
   55    71   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    39   268.000  1.529
   39    40   340.000  1.090
   39    42   320.000  1.410
   42    43   553.000  0.945
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   71    72   553.000  0.945
   52    56   268.000  1.529
   52    60   268.000  1.529
   52    64   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    70    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    81.00000  111.40000
   33    39    67    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    50.00000  109.50000
   33    70    44    58.35000  112.70000
   33    70    55    58.35000  112.70000
   33    70    73    58.35000  112.70000
   37    41    44    83.00000  116.90000
   41    37    38    83.00000  123.40000
   41    44    45    35.00000  109.50000
   41    44    46    50.00000  109.50000
   41    44    70    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    58.35000  112.70000
   44    46    66    50.00000  109.50000
   44    70    55    58.35000  112.70000
   44    70    73    58.35000  112.70000
   46    44    45    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    50    58.35000  112.70000
   46    48    52    58.35000  112.70000
   46    66    53    83.00000  116.90000
   48    46    47    37.50000  110.70000
   48    50    51    37.50000  110.70000
   48    50    53    63.00000  111.10000
   48    50    55    58.35000  112.70000
   48    52    56    58.35000  112.70000
   48    52    60    58.35000  112.70000
   48    52    64    50.00000  109.50000
   50    48    49    37.50000  110.70000
   50    53    54    80.00000  120.40000
   50    53    66    81.00000  111.40000
   50    55    67    58.35000  112.70000
   50    55    70    58.35000  112.70000
   50    55    71    50.00000  109.50000
   53    50    51    35.00000  109.50000
   66    46    47    35.00000  109.50000
   66    46    48    50.00000  109.50000
   66    53    54    83.00000  123.40000
   55    50    51    37.50000  110.70000
   55    50    53    63.00000  111.10000
   55    67    68    37.50000  110.70000
   55    67    69    37.50000  110.70000
   55    67    39    58.35000  112.70000
   55    70    73    58.35000  112.70000
   55    71    72    55.00000  108.50000
   67    39    40    37.50000  110.70000
   67    39    42    50.00000  109.50000
   69    67    68    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    67    68    37.50000  110.70000
   39    67    69    37.50000  110.70000
   39    42    43    55.00000  108.50000
   42    39    40    35.00000  109.50000
   70    33    37    63.00000  111.10000
   70    33    39    58.35000  112.70000
   70    44    45    37.50000  110.70000
   70    44    46    58.35000  112.70000
   70    55    67    58.35000  112.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   71    55    67    50.00000  109.50000
   71    55    70    50.00000  109.50000
   52    48    49    37.50000  110.70000
   52    48    50    58.35000  112.70000
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    59    37.50000  110.70000
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    63    37.50000  110.70000
   52    64    65    55.00000  108.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   60    52    56    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    52    56    50.00000  109.50000
   64    52    60    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    70   0.01700  1.0 1.0
   24    29    33    70  -0.23550 -1.0 2.0
   24    29    33    70   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    37    38   0.30150 -1.0 2.0
   29    33    37    41   0.40000  1.0 3.0
   29    33    39    67   0.44750  1.0 1.0
   29    33    39    67  -0.17800 -1.0 2.0
   29    33    39    67   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   29    33    70    44   0.44750  1.0 1.0
   29    33    70    44  -0.17800 -1.0 2.0
   29    33    70    44   0.20200  1.0 3.0
   29    33    70    55   0.44750  1.0 1.0
   29    33    70    55  -0.17800 -1.0 2.0
   29    33    70    55   0.20200  1.0 3.0
   29    33    70    73   0.44750  1.0 1.0
   29    33    70    73  -0.17800 -1.0 2.0
   29    33    70    73   0.20200  1.0 3.0
   33    37   -41    44   1.63150  1.0 1.0
   33    37   -41    44   2.92000 -1.0 2.0
   33    39    42    43  -0.11600  1.0 1.0
   33    39    42    43  -0.09450 -1.0 2.0
   33    39    42    43   0.21250  1.0 3.0
   33    70    73    74   0.15000  1.0 3.0
   33    70    73    75   0.15000  1.0 3.0
   33    70    73    76   0.15000  1.0 3.0
   37    33    39    67  -0.95700  1.0 1.0
   37    33    39    67  -0.18200 -1.0 2.0
   37    33    39    67   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    42  -0.09450  1.0 1.0
   37    33    39    42  -1.12950 -1.0 2.0
   37    33    39    42   0.54000  1.0 3.0
   37    33   -70    44  -0.95700  1.0 1.0
   37    33   -70    44  -0.18200 -1.0 2.0
   37    33   -70    44   0.29450  1.0 3.0
   37    33    70    55  -0.95700  1.0 1.0
   37    33    70    55  -0.18200 -1.0 2.0
   37    33    70    55   0.29450  1.0 3.0
   37    33    70    73  -0.95700  1.0 1.0
   37    33    70    73  -0.18200 -1.0 2.0
   37    33    70    73   0.29450  1.0 3.0
   37    41    44    45   0.08050  1.0 3.0
   37    41    44    46  -0.25900  1.0 1.0
   37    41    44    46  -0.47000 -1.0 2.0
   37    41    44    46   0.11750  1.0 3.0
   37    41   -44    70  -0.25900  1.0 1.0
   37    41   -44    70  -0.47000 -1.0 2.0
   37    41   -44    70   0.11750  1.0 3.0
   38    37    41    44   3.00000 -1.0 2.0
   41    44    46    47   0.23400  1.0 3.0
   41    44    46    48   0.62750  1.0 1.0
   41    44    46    48  -0.30950 -1.0 2.0
   41    44    46    48   0.27300  1.0 3.0
   41    44    46    66   1.11900  1.0 1.0
   41    44    46    66  -1.16350 -1.0 2.0
   41    44    46    66  -0.34150  1.0 3.0
   41    44   -70    33   0.62750  1.0 1.0
   41    44   -70    33  -0.30950 -1.0 2.0
   41    44   -70    33   0.27300  1.0 3.0
   41    44    70    55   0.62750  1.0 1.0
   41    44    70    55  -0.30950 -1.0 2.0
   41    44    70    55   0.27300  1.0 3.0
   41    44    70    73   0.62750  1.0 1.0
   41    44    70    73  -0.30950 -1.0 2.0
   41    44    70    73   0.27300  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    50   0.56750  1.0 1.0
   44    46    48    50  -0.07550 -1.0 2.0
   44    46    48    50   0.20000  1.0 3.0
   44    46    48    52   0.56750  1.0 1.0
   44    46    48    52  -0.07550 -1.0 2.0
   44    46    48    52   0.20000  1.0 3.0
   44    46    66    53  -0.25900  1.0 1.0
   44    46    66    53  -0.47000 -1.0 2.0
   44    46    66    53   0.11750  1.0 3.0
   44    70    73    74   0.15000  1.0 3.0
   44    70    73    75   0.15000  1.0 3.0
   44    70    73    76   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    66   0.23400  1.0 3.0
   45    44    70    33   0.15000  1.0 3.0
   45    44    70    55   0.15000  1.0 3.0
   45    44    70    73   0.15000  1.0 3.0
   46    44    70    33   0.56750  1.0 1.0
   46    44    70    33  -0.07550 -1.0 2.0
   46    44    70    33   0.20000  1.0 3.0
   46    44    70    55   0.56750  1.0 1.0
   46    44    70    55  -0.07550 -1.0 2.0
   46    44    70    55   0.20000  1.0 3.0
   46    44    70    73   0.56750  1.0 1.0
   46    44    70    73  -0.07550 -1.0 2.0
   46    44    70    73   0.20000  1.0 3.0
   46    48    50    51   0.15000  1.0 3.0
   46    48   -50    53  -0.95700  1.0 1.0
   46    48   -50    53  -0.18200 -1.0 2.0
   46    48   -50    53   0.29450  1.0 3.0
   46    48   -50    55   0.56750  1.0 1.0
   46    48   -50    55  -0.07550 -1.0 2.0
   46    48   -50    55   0.20000  1.0 3.0
   46    48    52    56   0.56750  1.0 1.0
   46    48    52    56  -0.07550 -1.0 2.0
   46    48    52    56   0.20000  1.0 3.0
   46    48    52    60   0.56750  1.0 1.0
   46    48    52    60  -0.07550 -1.0 2.0
   46    48    52    60   0.20000  1.0 3.0
   46    48    52    64   0.86500  1.0 1.0
   46    48    52    64  -0.17500 -1.0 2.0
   46    48    52    64   0.20800  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    52   0.15000  1.0 3.0
   47    46    66    53   0.08050  1.0 3.0
   48    46   -66    53  -0.25900  1.0 1.0
   48    46   -66    53  -0.47000 -1.0 2.0
   48    46   -66    53   0.11750  1.0 3.0
   48    50    53    54   0.30150 -1.0 2.0
   48    50   -53    66   0.36750  1.0 3.0
   48    50    55    67   0.56750  1.0 1.0
   48    50    55    67  -0.07550 -1.0 2.0
   48    50    55    67   0.20000  1.0 3.0
   48    50    55    70   0.56750  1.0 1.0
   48    50    55    70  -0.07550 -1.0 2.0
   48    50    55    70   0.20000  1.0 3.0
   48    50    55    71   0.86500  1.0 1.0
   48    50    55    71  -0.17500 -1.0 2.0
   48    50    55    71   0.20800  1.0 3.0
   48    52    56    57   0.15000  1.0 3.0
   48    52    56    58   0.15000  1.0 3.0
   48    52    56    59   0.15000  1.0 3.0
   48    52    60    61   0.15000  1.0 3.0
   48    52    60    62   0.15000  1.0 3.0
   48    52    60    63   0.15000  1.0 3.0
   48    52    64    65  -0.11600  1.0 1.0
   48    52    64    65  -0.09450 -1.0 2.0
   48    52    64    65   0.21250  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    53  -0.11250  1.0 3.0
   49    48    50    55   0.15000  1.0 3.0
   49    48    52    56   0.15000  1.0 3.0
   49    48    52    60   0.15000  1.0 3.0
   49    48    52    64   0.23400  1.0 3.0
   50    48    52    56   0.56750  1.0 1.0
   50    48    52    56  -0.07550 -1.0 2.0
   50    48    52    56   0.20000  1.0 3.0
   50    48    52    60   0.56750  1.0 1.0
   50    48    52    60  -0.07550 -1.0 2.0
   50    48    52    60   0.20000  1.0 3.0
   50    48    52    64   0.86500  1.0 1.0
   50    48    52    64  -0.17500 -1.0 2.0
   50    48    52    64   0.20800  1.0 3.0
   50    53   -66    46   1.63150  1.0 1.0
   50    53   -66    46   2.92000 -1.0 2.0
   50    55    67    68   0.15000  1.0 3.0
   50    55    67    69   0.15000  1.0 3.0
   50    55    67    39   0.56750  1.0 1.0
   50    55    67    39  -0.07550 -1.0 2.0
   50    55    67    39   0.20000  1.0 3.0
   50    55    70    33   0.56750  1.0 1.0
   50    55    70    33  -0.07550 -1.0 2.0
   50    55    70    33   0.20000  1.0 3.0
   50    55   -70    44   0.56750  1.0 1.0
   50    55   -70    44  -0.07550 -1.0 2.0
   50    55   -70    44   0.20000  1.0 3.0
   50    55    70    73   0.56750  1.0 1.0
   50    55    70    73  -0.07550 -1.0 2.0
   50    55    70    73   0.20000  1.0 3.0
   50    55    71    72  -0.11600  1.0 1.0
   50    55    71    72  -0.09450 -1.0 2.0
   50    55    71    72   0.21250  1.0 3.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    66   0.00000  1.0 1.0
   51    50    55    67   0.15000  1.0 3.0
   51    50    55    70   0.15000  1.0 3.0
   51    50    55    71   0.23400  1.0 3.0
   53    50    55    67  -0.95700  1.0 1.0
   53    50    55    67  -0.18200 -1.0 2.0
   53    50    55    67   0.29450  1.0 3.0
   53    50    55    70  -0.95700  1.0 1.0
   53    50    55    70  -0.18200 -1.0 2.0
   53    50    55    70   0.29450  1.0 3.0
   53    50    55    71  -0.09450  1.0 1.0
   53    50    55    71  -1.12950 -1.0 2.0
   53    50    55    71   0.54000  1.0 3.0
   54    53    66    46   3.00000 -1.0 2.0
   66    46    48    49   0.23400  1.0 3.0
   66    46   -48    50   0.62750  1.0 1.0
   66    46   -48    50  -0.30950 -1.0 2.0
   66    46   -48    50   0.27300  1.0 3.0
   66    46    48    52   0.62750  1.0 1.0
   66    46    48    52  -0.30950 -1.0 2.0
   66    46    48    52   0.27300  1.0 3.0
   55    50    53    54   0.30150 -1.0 2.0
   55    50    53    66   0.36750  1.0 3.0
   55    67   -39    33   0.56750  1.0 1.0
   55    67   -39    33  -0.07550 -1.0 2.0
   55    67   -39    33   0.20000  1.0 3.0
   55    67    39    40   0.15000  1.0 3.0
   55    67    39    42   0.86500  1.0 1.0
   55    67    39    42  -0.17500 -1.0 2.0
   55    67    39    42   0.20800  1.0 3.0
   55    70    73    74   0.15000  1.0 3.0
   55    70    73    75   0.15000  1.0 3.0
   55    70    73    76   0.15000  1.0 3.0
   67    55   -70    33   0.56750  1.0 1.0
   67    55   -70    33  -0.07550 -1.0 2.0
   67    55   -70    33   0.20000  1.0 3.0
   67    55    70    44   0.56750  1.0 1.0
   67    55    70    44  -0.07550 -1.0 2.0
   67    55    70    44   0.20000  1.0 3.0
   67    55    70    73   0.56750  1.0 1.0
   67    55    70    73  -0.07550 -1.0 2.0
   67    55    70    73   0.20000  1.0 3.0
   67    55    71    72  -0.11600  1.0 1.0
   67    55    71    72  -0.09450 -1.0 2.0
   67    55    71    72   0.21250  1.0 3.0
   67    39    42    43  -0.11600  1.0 1.0
   67    39    42    43  -0.09450 -1.0 2.0
   67    39    42    43   0.21250  1.0 3.0
   68    67    39    33   0.15000  1.0 3.0
   68    67    39    40   0.15000  1.0 3.0
   68    67    39    42   0.23400  1.0 3.0
   69    67    39    33   0.15000  1.0 3.0
   69    67    39    40   0.15000  1.0 3.0
   69    67    39    42   0.23400  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.36750  1.0 3.0
   39    33    70    44   0.56750  1.0 1.0
   39    33    70    44  -0.07550 -1.0 2.0
   39    33    70    44   0.20000  1.0 3.0
   39    33   -70    55   0.56750  1.0 1.0
   39    33   -70    55  -0.07550 -1.0 2.0
   39    33   -70    55   0.20000  1.0 3.0
   39    33    70    73   0.56750  1.0 1.0
   39    33    70    73  -0.07550 -1.0 2.0
   39    33    70    73   0.20000  1.0 3.0
   40    39    42    43   0.19450  1.0 3.0
   70    33    37    38   0.30150 -1.0 2.0
   70    33   -37    41   0.36750  1.0 3.0
   70    33   -39    67   0.56750  1.0 1.0
   70    33   -39    67  -0.07550 -1.0 2.0
   70    33   -39    67   0.20000  1.0 3.0
   70    33    39    40   0.15000  1.0 3.0
   70    33    39    42   0.86500  1.0 1.0
   70    33    39    42  -0.17500 -1.0 2.0
   70    33    39    42   0.20800  1.0 3.0
   70    44    46    47   0.15000  1.0 3.0
   70    44   -46    48   0.56750  1.0 1.0
   70    44   -46    48  -0.07550 -1.0 2.0
   70    44   -46    48   0.20000  1.0 3.0
   70    44    46    66   0.62750  1.0 1.0
   70    44    46    66  -0.30950 -1.0 2.0
   70    44    46    66   0.27300  1.0 3.0
   70    55    67    68   0.15000  1.0 3.0
   70    55    67    69   0.15000  1.0 3.0
   70    55   -67    39   0.56750  1.0 1.0
   70    55   -67    39  -0.07550 -1.0 2.0
   70    55   -67    39   0.20000  1.0 3.0
   70    55    71    72  -0.11600  1.0 1.0
   70    55    71    72  -0.09450 -1.0 2.0
   70    55    71    72   0.21250  1.0 3.0
   71    55    67    68   0.23400  1.0 3.0
   71    55    67    69   0.23400  1.0 3.0
   71    55    67    39   0.86500  1.0 1.0
   71    55    67    39  -0.17500 -1.0 2.0
   71    55    67    39   0.20800  1.0 3.0
   71    55    70    33   0.86500  1.0 1.0
   71    55    70    33  -0.17500 -1.0 2.0
   71    55    70    33   0.20800  1.0 3.0
   71    55    70    44   0.86500  1.0 1.0
   71    55    70    44  -0.17500 -1.0 2.0
   71    55    70    44   0.20800  1.0 3.0
   71    55    70    73   0.86500  1.0 1.0
   71    55    70    73  -0.17500 -1.0 2.0
   71    55    70    73   0.20800  1.0 3.0
   52    48    50    51   0.15000  1.0 3.0
   52    48    50    53  -0.95700  1.0 1.0
   52    48    50    53  -0.18200 -1.0 2.0
   52    48    50    53   0.29450  1.0 3.0
   52    48    50    55   0.56750  1.0 1.0
   52    48    50    55  -0.07550 -1.0 2.0
   52    48    50    55   0.20000  1.0 3.0
   56    52    60    61   0.15000  1.0 3.0
   56    52    60    62   0.15000  1.0 3.0
   56    52    60    63   0.15000  1.0 3.0
   56    52    64    65  -0.11600  1.0 1.0
   56    52    64    65  -0.09450 -1.0 2.0
   56    52    64    65   0.21250  1.0 3.0
   60    52    56    57   0.15000  1.0 3.0
   60    52    56    58   0.15000  1.0 3.0
   60    52    56    59   0.15000  1.0 3.0
   60    52    64    65  -0.11600  1.0 1.0
   60    52    64    65  -0.09450 -1.0 2.0
   60    52    64    65   0.21250  1.0 3.0
   64    52    56    57   0.23400  1.0 3.0
   64    52    56    58   0.23400  1.0 3.0
   64    52    56    59   0.23400  1.0 3.0
   64    52    60    61   0.23400  1.0 3.0
   64    52    60    62   0.23400  1.0 3.0
   64    52    60    63   0.23400  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   50    66    53    54  10.50000 -1.0 2.0
END
