* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    141    229     424
    1     0 S   NP   _N1_     1    28.71211    95.79700   -23.71949
    2     1 S   H    _HN1     2     1.02950    75.79883    14.52608
    3     1 S   H    _H1_     3     1.02829    33.86295   171.55145
    4     1 S   H    _H2_     4     1.02784   106.50457   -90.77843
    5     1 S   CT   _CA1     5     1.50112   135.57060   119.33065
    6     5 S   HC   _HA1     6     1.09573   105.20208    87.32323
    7     5 S   CO3  _C1_     7     1.53792   112.45834   -32.91910
    8     7 S   O2Z  _O11     8     1.26372   115.00609   -42.52188
    9     7 S   O2Z  _O12     9     1.26241   114.94945   136.62600
   10     5 S   CT   _CB1    10     1.53084   107.42442  -154.68724
   11    10 S   HC   HB11    11     1.09832   109.38444   -49.72760
   12    10 S   HC   HB12    12     1.09813   110.43938    66.88279
   13    10 S   CT   _CG1    13     1.52988   112.60159  -170.71187
   14    13 S   HC   HG11    14     1.09583   110.61181   -65.28907
   15    13 S   HC   HG12    15     1.09670   109.80398    53.93885
   16    13 S   C    _CD1    16     1.51801   112.25754   174.39479
   17    16 S   O    _OE1    17     1.22728   123.30022     5.98920
   18    16 S   N    _N2_    18     1.38653   111.65151  -174.10801
   19    18 S   H    _HN2    19     1.01581   118.93583     1.78465
   20    18 S   CT1  _CA2    20     1.46192   123.39720   177.75493
   21    20 S   HC   _HA2    21     1.09737   109.36925     2.05690
   22    20 S   C    _C2_    22     1.53539   108.64942  -113.43710
   23    22 S   O    _O2_    23     1.23059   122.26572  -148.18883
   24    20 S   CT   _CB2    32     1.53353   111.55304   124.07175
   25    24 S   HC   HB21    33     1.09476   109.91127    56.27027
   26    24 S   HC   HB22    34     1.09512   110.11269   175.29235
   27    22 S   N    _N3_    24     1.38323   113.71165    39.27917
   28    27 S   H    _HN3    25     1.01588   119.58728    -3.38240
   29    24 S   S    _SG2    35     1.82806   111.44489   -65.03381
   30    27 S   CT   _CA3    26     1.45288   123.20190   177.09027
   31    30 S   HC   HA31    27     1.09550   107.51463   -64.38207
   32    30 S   HC   HA32    28     1.09556   107.97663    52.05196
   33    29 S   CT   _C15    36     1.84667    99.91911  -177.47485
   34    33 S   HC   _H6_    37     1.09839   106.30235    37.52962
   35    30 S   CO3  _C3_    29     1.52958   114.08847   174.04092
   36    35 S   O2Z  _O31    30     1.26376   116.06622    -0.79893
   37    35 S   O2Z  _O32    31     1.26429   114.41219   179.26538
   38    33 S   CT   _C14    38     1.53430   108.56327   -78.24026
   39    38 S   HC   _H16    39     1.09637   109.91593    64.31159
   40    38 S   HC   _H17    40     1.09621   112.23646   -55.20224
   41    38 S   CO4  _C13    41     1.51190   112.69720  -176.72828
   42    41 S   O    _O33    42     1.22930   121.49494  -143.69986
   43    41 S   CM   _C11    43     1.49235   116.83023    40.20172
   44    43 S   CT   _C10    44     1.51361   115.71517   -42.14586
   45    44 S   HC   _H5_    45     1.10167   105.50871   -64.73277
   46    43 S   CM   _C12    71     1.34087   116.13098   137.43437
   47    46 S   HC   _H14    72     1.08398   122.06537  -179.62885
   48    46 S   HC   _H15    73     1.08614   121.86560     0.00000
   49    44 S   CT   _C9_    46     1.53970   114.37857   179.53228
   50    49 S   HC   _H12    47     1.09623   109.75855   -61.40017
   51    49 S   HC   _H13    48     1.09811   109.40605    54.69380
   52    49 S   CT   _C8_    49     1.53705   112.87388   174.59557
   53    52 S   HC   _H4_    50     1.09725   108.81415   -72.15516
   54    52 S   CT   _C7_    51     1.51979   112.75262    49.38179
   55    54 S   HC   _H3_    52     1.09886   110.49715  -164.29854
   56    54 S   CT   _C6_    53     1.52603   115.84602   -42.07513
   57    56 S   HC   _H10    54     1.09679   108.16147   167.85701
   58    56 S   HC   _H11    55     1.09862   106.96655   -77.41678
   59    54 S   OS   _O35    61     1.43302   104.32510    81.92177
   60    33 S   CT   _C5_    56     1.57822   113.71171   154.87132
   61    59 S   CO4  _C17    62     1.37285   108.71197    29.09812
   62    61 S   O    _O34    63     1.22112   124.37414   173.13287
   63    60 S   CT   _C4_    57     1.55125   111.07732    60.59148
   64    63 S   HC   _H7_    58     1.09403   112.28658    54.72793
   65    63 S   HC   _H8_    59     1.09501   111.53446   -65.77995
   66    63 S   HC   _H9_    60     1.09255   112.48330   174.76921
   67    52 S   CT   _C16    64     1.53312   113.59482   162.65396
   68    67 S   CT   _C18    65     1.52064   116.27389    37.03664
   69    68 S   HC   _H18    66     1.09541   110.65523    57.07369
   70    68 S   HC   _H19    67     1.09415   112.64039   -65.08684
   71    68 S   HC   _H20    68     1.09644   110.75712   174.98413
   72    67 S   OH   _O36    69     1.42480   109.16283   161.04633
   73    72 S   HO   _H21    70     0.97317   108.08823   176.54271
  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  10   5   4   9   3  12  19   8   4   1   1
  14   6   5  17   8  12   7  10   4   3   6   4   8   3   3   2
   1   1   6   5   3   2   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    60    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    56    60    63  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    49    54    56    57    58    60    63    64    65    66  
   38    39    40    41    44    56    60    63  
   36    37  
   37  
    0  
   39    40    41    42    43    44    56    60    63    46  
   40    41    42    43    60  
   41    42    43    60  
   42    43    44    45    49    60    46    47    48  
   43    44    46  
   44    45    49    50    51    52    56    60    63    46    47    48  
   45    49    50    51    52    53    54    56    57    58    60    63    64    65    66    67    46    47    48  
   49    50    51    52    56    60    63    46  
   47    48    49    60  
   48  
    0  
   50    51    52    53    54    55    56    60    63    59    61    67    68    72  
   51    52    53    54    60    67  
   52    53    54    60    67  
   53    54    55    56    57    58    60    59    61    62    67    68    69    70    71    72    73  
   54    55    56    59    61    67    68    72  
   55    56    57    58    60    63    59    61    62    67    68    72  
   56    57    58    60    59    61    67  
   57    58    60    63    64    65    66    59    61    67  
   58    60    63    59  
   60    63    59  
   61    62    67    68    72    60  
   63    64    65    66  
   62    67    68    69    70    71    72    73  
   67    68    72  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    72    73  
   69    70    71    72    73  
   70    71    72  
   71    72  
   72  
   73  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    60   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   320.000  1.462
   43    44   317.000  1.510
   43    46   549.000  1.340
   44    45   340.000  1.090
   44    49   268.000  1.529
   44    60   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    67   268.000  1.529
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   268.000  1.529
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   59    61   214.000  1.327
   61    62   570.000  1.229
   61    67   317.000  1.522
   67    68   268.000  1.529
   67    72   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   553.000  0.945
   46    47   340.000  1.080
   46    48   340.000  1.080
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    60    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    60    44    58.35000  112.70000
   33    60    56    58.35000  112.70000
   33    60    63    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    65.00000  118.62400
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    65.00000  116.34900
   41    43    46    65.00000  118.96000
   43    41    42    80.00000  123.72100
   43    44    45    35.00000  109.50000
   43    44    49    70.00000  112.02700
   43    44    60    70.00000  112.02700
   43    46    47    35.00000  120.00000
   43    46    48    35.00000  120.00000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    52    58.35000  112.70000
   44    60    56    58.35000  112.70000
   44    60    63    58.35000  112.70000
   49    44    45    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    58.35000  112.70000
   49    52    67    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    54    55    37.50000  110.70000
   52    54    56    58.35000  112.70000
   52    54    59    50.00000  109.50000
   52    67    61    63.00000  111.10000
   52    67    68    58.35000  112.70000
   52    67    72    50.00000  109.50000
   54    52    53    37.50000  110.70000
   54    56    57    37.50000  110.70000
   54    56    58    37.50000  110.70000
   54    56    60    58.35000  112.70000
   54    59    61    83.00000  116.90000
   56    54    55    37.50000  110.70000
   56    60    63    58.35000  112.70000
   58    56    57    33.00000  107.80000
   60    33    34    37.50000  110.70000
   60    33    38    58.35000  112.70000
   60    44    45    37.50000  110.70000
   60    44    49    58.35000  112.70000
   60    56    57    37.50000  110.70000
   60    56    58    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   59    54    55    35.00000  109.50000
   59    54    56    50.00000  109.50000
   59    61    62    83.00000  123.40000
   59    61    67    81.00000  111.40000
   61    67    68    63.00000  111.10000
   61    67    72    90.00000  109.61100
   67    52    53    37.50000  110.70000
   67    52    54    58.35000  112.70000
   67    61    62    80.00000  120.40000
   67    68    69    37.50000  110.70000
   67    68    70    37.50000  110.70000
   67    68    71    37.50000  110.70000
   67    72    73    55.00000  108.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    67    68    50.00000  109.50000
   46    43    44    70.00000  124.00000
   48    46    47    35.00000  117.00000
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    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   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    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    60    44   0.44750  1.0 1.0
   29    33    60    44  -0.17800 -1.0 2.0
   29    33    60    44   0.20200  1.0 3.0
   29    33    60    56   0.44750  1.0 1.0
   29    33    60    56  -0.17800 -1.0 2.0
   29    33    60    56   0.20200  1.0 3.0
   29    33    60    63   0.44750  1.0 1.0
   29    33    60    63  -0.17800 -1.0 2.0
   29    33    60    63   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.65300  1.0 1.0
   33    38    41    43  -0.03850 -1.0 2.0
   33    38    41    43   0.33900  1.0 3.0
   33    60    63    64   0.15000  1.0 3.0
   33    60    63    65   0.15000  1.0 3.0
   33    60    63    66   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    60    44   0.15000  1.0 3.0
   34    33    60    56   0.15000  1.0 3.0
   34    33    60    63   0.15000  1.0 3.0
   38    33    60    44   0.56750  1.0 1.0
   38    33    60    44  -0.07550 -1.0 2.0
   38    33    60    44   0.20000  1.0 3.0
   38    33    60    56   0.56750  1.0 1.0
   38    33    60    56  -0.07550 -1.0 2.0
   38    33    60    56   0.20000  1.0 3.0
   38    33    60    63   0.56750  1.0 1.0
   38    33    60    63  -0.07550 -1.0 2.0
   38    33    60    63   0.20000  1.0 3.0
   38    41   -43    44   0.25700  1.0 1.0
   38    41   -43    44   0.66200 -1.0 2.0
   38    41   -43    44   0.04450  1.0 3.0
   38    41    43    46  -0.33500  1.0 1.0
   38    41    43    46   1.06600 -1.0 2.0
   38    41    43    46  -0.14000  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    44    45   0.15000  1.0 3.0
   41    43    44    49   0.09700  1.0 1.0
   41    43    44    49   0.15600 -1.0 2.0
   41    43    44    49  -0.50800  1.0 3.0
   41    43    44    60   0.09700  1.0 1.0
   41    43    44    60   0.15600 -1.0 2.0
   41    43    44    60  -0.50800  1.0 3.0
   41    43    46    47   7.00000 -1.0 2.0
   41    43    46    48   7.00000 -1.0 2.0
   42    41    43    44  -0.64400  1.0 1.0
   42    41    43    44   0.26850 -1.0 2.0
   42    41    43    46   1.00000 -1.0 2.0
   43    44    49    50   0.15000  1.0 3.0
   43    44    49    51   0.15000  1.0 3.0
   43    44    49    52   0.34400  1.0 1.0
   43    44    49    52   0.09450 -1.0 2.0
   43    44    49    52   0.11100  1.0 3.0
   43    44   -60    33   0.34400  1.0 1.0
   43    44   -60    33   0.09450 -1.0 2.0
   43    44   -60    33   0.11100  1.0 3.0
   43    44    60    56   0.34400  1.0 1.0
   43    44    60    56   0.09450 -1.0 2.0
   43    44    60    56   0.11100  1.0 3.0
   43    44    60    63   0.34400  1.0 1.0
   43    44    60    63   0.09450 -1.0 2.0
   43    44    60    63   0.11100  1.0 3.0
   44    43    46    47   7.00000 -1.0 2.0
   44    43    46    48   7.00000 -1.0 2.0
   44    49    52    53   0.15000  1.0 3.0
   44    49    52    54   0.56750  1.0 1.0
   44    49    52    54  -0.07550 -1.0 2.0
   44    49    52    54   0.20000  1.0 3.0
   44    49    52    67   0.56750  1.0 1.0
   44    49    52    67  -0.07550 -1.0 2.0
   44    49    52    67   0.20000  1.0 3.0
   44    60    63    64   0.15000  1.0 3.0
   44    60    63    65   0.15000  1.0 3.0
   44    60    63    66   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    51   0.15000  1.0 3.0
   45    44    49    52   0.15000  1.0 3.0
   45    44    60    33   0.15000  1.0 3.0
   45    44    60    56   0.15000  1.0 3.0
   45    44    60    63   0.15000  1.0 3.0
   49    44    60    33   0.56750  1.0 1.0
   49    44    60    33  -0.07550 -1.0 2.0
   49    44    60    33   0.20000  1.0 3.0
   49    44    60    56   0.56750  1.0 1.0
   49    44    60    56  -0.07550 -1.0 2.0
   49    44    60    56   0.20000  1.0 3.0
   49    44    60    63   0.56750  1.0 1.0
   49    44    60    63  -0.07550 -1.0 2.0
   49    44    60    63   0.20000  1.0 3.0
   49    52    54    55   0.15000  1.0 3.0
   49    52   -54    56   0.56750  1.0 1.0
   49    52   -54    56  -0.07550 -1.0 2.0
   49    52   -54    56   0.20000  1.0 3.0
   49    52    54    59   0.62750  1.0 1.0
   49    52    54    59  -0.30950 -1.0 2.0
   49    52    54    59   0.27300  1.0 3.0
   49    52    67    61  -0.95700  1.0 1.0
   49    52    67    61  -0.18200 -1.0 2.0
   49    52    67    61   0.29450  1.0 3.0
   49    52    67    68   0.56750  1.0 1.0
   49    52    67    68  -0.07550 -1.0 2.0
   49    52    67    68   0.20000  1.0 3.0
   49    52    67    72   0.86500  1.0 1.0
   49    52    67    72  -0.17500 -1.0 2.0
   49    52    67    72   0.20800  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    67   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    67   0.15000  1.0 3.0
   52    54    56    57   0.15000  1.0 3.0
   52    54    56    58   0.15000  1.0 3.0
   52    54    56    60   0.56750  1.0 1.0
   52    54    56    60  -0.07550 -1.0 2.0
   52    54    56    60   0.20000  1.0 3.0
   52    54   -59    61  -0.25900  1.0 1.0
   52    54   -59    61  -0.47000 -1.0 2.0
   52    54   -59    61   0.11750  1.0 3.0
   52    67    68    69   0.15000  1.0 3.0
   52    67    68    70   0.15000  1.0 3.0
   52    67    68    71   0.15000  1.0 3.0
   52    67    72    73  -0.11600  1.0 1.0
   52    67    72    73  -0.09450 -1.0 2.0
   52    67    72    73   0.21250  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    56   0.15000  1.0 3.0
   53    52    54    59   0.23400  1.0 3.0
   53    52    67    61  -0.11250  1.0 3.0
   53    52    67    68   0.15000  1.0 3.0
   53    52    67    72   0.23400  1.0 3.0
   54    52   -67    61  -0.95700  1.0 1.0
   54    52   -67    61  -0.18200 -1.0 2.0
   54    52   -67    61   0.29450  1.0 3.0
   54    52    67    68   0.56750  1.0 1.0
   54    52    67    68  -0.07550 -1.0 2.0
   54    52    67    68   0.20000  1.0 3.0
   54    52    67    72   0.86500  1.0 1.0
   54    52    67    72  -0.17500 -1.0 2.0
   54    52    67    72   0.20800  1.0 3.0
   54    56    60    33   0.56750  1.0 1.0
   54    56    60    33  -0.07550 -1.0 2.0
   54    56    60    33   0.20000  1.0 3.0
   54    56   -60    44   0.56750  1.0 1.0
   54    56   -60    44  -0.07550 -1.0 2.0
   54    56   -60    44   0.20000  1.0 3.0
   54    56    60    63   0.56750  1.0 1.0
   54    56    60    63  -0.07550 -1.0 2.0
   54    56    60    63   0.20000  1.0 3.0
   54    59    61    62   3.00000 -1.0 2.0
   54    59   -61    67   1.63150  1.0 1.0
   54    59   -61    67   2.92000 -1.0 2.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    58   0.15000  1.0 3.0
   55    54    56    60   0.15000  1.0 3.0
   55    54    59    61   0.08050  1.0 3.0
   56    54    59    61  -0.25900  1.0 1.0
   56    54    59    61  -0.47000 -1.0 2.0
   56    54    59    61   0.11750  1.0 3.0
   56    60    63    64   0.15000  1.0 3.0
   56    60    63    65   0.15000  1.0 3.0
   56    60    63    66   0.15000  1.0 3.0
   57    56    60    33   0.15000  1.0 3.0
   57    56    60    44   0.15000  1.0 3.0
   57    56    60    63   0.15000  1.0 3.0
   58    56    60    33   0.15000  1.0 3.0
   58    56    60    44   0.15000  1.0 3.0
   58    56    60    63   0.15000  1.0 3.0
   60    33    38    39   0.15000  1.0 3.0
   60    33    38    40   0.15000  1.0 3.0
   60    33   -38    41  -0.95700  1.0 1.0
   60    33   -38    41  -0.18200 -1.0 2.0
   60    33   -38    41   0.29450  1.0 3.0
   60    44    49    50   0.15000  1.0 3.0
   60    44    49    51   0.15000  1.0 3.0
   60    44   -49    52   0.56750  1.0 1.0
   60    44   -49    52  -0.07550 -1.0 2.0
   60    44   -49    52   0.20000  1.0 3.0
   59    54    56    57   0.23400  1.0 3.0
   59    54    56    58   0.23400  1.0 3.0
   59    54    56    60   0.62750  1.0 1.0
   59    54    56    60  -0.30950 -1.0 2.0
   59    54    56    60   0.27300  1.0 3.0
   59    61   -67    52   0.36750  1.0 3.0
   59    61    67    68   0.36750  1.0 3.0
   59    61    67    72   0.30750  1.0 1.0
   59    61    67    72   1.13850 -1.0 2.0
   59    61    67    72   0.38850  1.0 3.0
   61    67    68    69  -0.11250  1.0 3.0
   61    67    68    70  -0.11250  1.0 3.0
   61    67    68    71  -0.11250  1.0 3.0
   61    67    72    73   0.91850  1.0 1.0
   61    67    72    73   0.57950  1.0 3.0
   62    61    67    52   0.30150 -1.0 2.0
   62    61    67    68   0.30150 -1.0 2.0
   62    61    67    72   0.30150 -1.0 2.0
   67    52    54    55   0.15000  1.0 3.0
   67    52    54    56   0.56750  1.0 1.0
   67    52    54    56  -0.07550 -1.0 2.0
   67    52    54    56   0.20000  1.0 3.0
   67    52   -54    59   0.62750  1.0 1.0
   67    52   -54    59  -0.30950 -1.0 2.0
   67    52   -54    59   0.27300  1.0 3.0
   68    67    72    73  -0.11600  1.0 1.0
   68    67    72    73  -0.09450 -1.0 2.0
   68    67    72    73   0.21250  1.0 3.0
   72    67    68    69   0.23400  1.0 3.0
   72    67    68    70   0.23400  1.0 3.0
   72    67    68    71   0.23400  1.0 3.0
   46    43    44    45   0.00000  1.0 1.0
   46    43    44    49   0.09850  1.0 1.0
   46    43    44    49   0.15250 -1.0 2.0
   46    43    44    49  -0.50650  1.0 3.0
   46    43    44    60   0.09850  1.0 1.0
   46    43    44    60   0.15250 -1.0 2.0
   46    43    44    60  -0.50650  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
   38    43    41    42  10.50000 -1.0 2.0
   41    44    43    46   1.10000 -1.0 2.0
   59    67    61    62  10.50000 -1.0 2.0
   47    48    46    43   1.10000 -1.0 2.0
END
