* LIGAND DATABASE FILE (OPLS2005)
*
001      73    73    130    185     379
    1     0 S   NP   _N1_     1    28.06740    95.87241   -24.13869
    2     1 S   H    _HN1     2     1.02957    81.13905    -4.55200
    3     1 S   H    _H1_     3     1.02835    27.43473   156.22263
    4     1 S   H    _H2_     4     1.02776   108.81411  -111.01323
    5     1 S   CT   _CA1     5     1.50136   130.21155   104.70696
    6     5 S   HC   _HA1     6     1.09575   105.20348    81.85264
    7     5 S   CO3  _C1_     7     1.53772   112.36784   -38.32643
    8     7 S   O2Z  _O11     8     1.26367   114.99236   -43.51111
    9     7 S   O2Z  _O12     9     1.26233   114.92503   135.54811
   10     5 S   CT   _CB1    10     1.53088   107.42032  -160.23531
   11    10 S   HC   HB11    11     1.09829   109.30428   -50.35375
   12    10 S   HC   HB12    12     1.09815   110.43245    66.18994
   13    10 S   CT   _CG1    13     1.53035   112.70419  -171.41437
   14    13 S   HC   HG11    14     1.09591   110.52448   -65.08577
   15    13 S   HC   HG12    15     1.09659   109.89222    54.13310
   16    13 S   C    _CD1    16     1.51848   112.26178   174.49558
   17    16 S   O    _OE1    17     1.22753   123.24335     2.12246
   18    16 S   N    _N2_    18     1.38553   111.75554  -177.89197
   19    18 S   H    _HN2    19     1.01553   119.11319     4.05502
   20    18 S   CT1  _CA2    20     1.45923   122.84683   177.60436
   21    20 S   HC   _HA2    21     1.09704   108.93437    25.49587
   22    20 S   C    _C2_    22     1.52859   106.42051   -91.86972
   23    22 S   O    _O2_    23     1.23042   122.72660   -33.48258
   24    20 S   CT   _CB2    32     1.53149   112.26915   148.81486
   25    24 S   HC   HB21    33     1.09597   110.23481    54.77987
   26    24 S   HC   HB22    34     1.09381   109.77785   173.57142
   27    22 S   N    _N3_    24     1.38473   112.89029   148.87569
   28    27 S   H    _HN3    25     1.01693   120.34375     0.20748
   29    24 S   S    _SG2    35     1.82647   110.99700   -65.84438
   30    27 S   CT   _CA3    26     1.45393   122.30433   178.80909
   31    30 S   HC   HA31    27     1.09564   107.15737   -70.97734
   32    30 S   HC   HA32    28     1.09576   108.27393    45.31881
   33    29 S   CT   _C9_    36     1.84421    99.84606   171.09731
   34    33 S   HC   _H8_    37     1.09676   105.75852   -49.52344
   35    30 S   CO3  _C3_    29     1.52866   114.67710   167.54997
   36    35 S   O2Z  _O31    30     1.26277   116.23746    -2.75364
   37    35 S   O2Z  _O32    31     1.26495   114.32855   177.47478
   38    33 S   CT   _C4_    38     1.54928   109.54376  -164.92333
   39    38 S   HC   _H3_    39     1.09521   109.10367    57.13593
   40    38 S   CT   _C5_    40     1.53981   110.95212   178.38784
   41    40 S   HC   _H4_    41     1.09622   110.62928   173.22931
   42    38 S   OH   _O49    72     1.42897   111.19252   -60.53153
   43    42 S   HO   _H13    73     0.97256   107.41598   178.22877
   44    40 S   CT   _C6_    42     1.54262   110.02715    54.34915
   45    44 S   HC   _H5_    43     1.09750   108.52767    64.05045
   46    40 S   OS   _O45    66     1.42776   111.26622   -66.99643
   47    44 S   CT   _C7_    44     1.54005   113.02424   -55.97473
   48    47 S   HC   _H6_    45     1.09650   108.25565   177.59068
   49    44 S   OS   _O41    60     1.42721   109.53454  -177.73324
   50    46 S   P2   _P4_    67     1.62935   121.41994   -70.63709
   51    50 S   O2Z  _O48    68     1.51202   108.55830  -157.70334
   52    50 S   O2Z  _O46    69     1.51138   110.79513   -22.71696
   53    33 S   CT   _C8_    46     1.54762   112.64597    68.73908
   54    53 S   HC   _H7_    47     1.09557   109.28577   -61.14740
   55    47 S   OS   _O37    54     1.42727   109.51834   -63.64971
   56    49 S   P2   _P3_    61     1.62963   118.68774  -107.59883
   57    56 S   O2Z  _O44    62     1.51160   109.45470   -66.44759
   58    56 S   O2Z  _O42    63     1.51156   109.41070    68.38105
   59    50 S   OS   _O47    70     1.63122    98.95984    90.98592
   60    59 S   HO   _H12    71     0.97888   115.84354    80.85941
   61    53 S   OS   _O33    48     1.42603   110.47777    59.61310
   62    55 S   P2   _P2_    55     1.62752   119.62204  -135.67889
   63    62 S   O2Z  _O40    56     1.51095   109.43181   -70.21915
   64    62 S   O2Z  _O38    57     1.51137   109.70023    65.34143
   65    56 S   OS   _O43    64     1.63032    98.28642  -178.62058
   66    65 S   HO   _H11    65     0.97896   115.75643    76.27046
   67    61 S   P2   _P1_    49     1.62923   119.19675  -134.66851
   68    67 S   O2Z  _O36    50     1.51075   109.49704   -64.83333
   69    67 S   O2Z  _O34    51     1.51118   109.58706    70.45702
   70    62 S   OS   _O39    58     1.63118    98.02684   177.28329
   71    70 S   HO   _H10    59     0.97891   115.78657   -76.49370
   72    67 S   OS   _O35    52     1.63084    98.20556  -176.74659
   73    72 S   HO   _H9_    53     0.97880   115.80116    78.57447
  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
  16   8   2   1   1  14   7  16   7   4   1  15   7   7  12   6
   7   4   3   2   8   3   6   4   3   2   1   1   5   4   3   2
   1   1   4   3   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    53    54    61    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    48    53    54    61    67    55    46    42    43  
   38    39    40    47    53    54    61    42  
   36    37  
   37  
    0  
   39    40    41    44    45    47    53    54    61    49    46    50    42    43  
   40    41    44    53    46    42    43  
   41    44    45    47    48    53    55    49    56    46    50    51    52    59    42    43  
   44    45    47    49    46    50    42  
   43    44    46    53  
    0  
   45    47    48    53    54    61    55    62    49    56    57    58    65    46    50  
   47    48    53    55    49    56    46  
   50    51    52    59    60    47    49  
   48    53    54    61    67    55    62    63    64    70    49    56  
   53    54    61    55    62    49  
   56    57    58    65    66    53    55  
   51    52    59    60  
   52    59    60  
   59    60  
   54    61    67    68    69    72    55    62  
   61    67    55  
   62    63    64    70    71    61  
   57    58    65    66  
   58    65    66  
   65    66  
   60  
    0  
   67    68    69    72    73  
   63    64    70    71  
   64    70    71  
   70    71  
   66  
    0  
   68    69    72    73  
   69    72    73  
   72    73  
   71  
    0  
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   51   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   52   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   53   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   57   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   58   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   59   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   61   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   63   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   64   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   65   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   68   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   69   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   70   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   72   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.380000   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    53   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    47   268.000  1.529
   44    49   320.000  1.410
   47    48   340.000  1.090
   47    53   268.000  1.529
   47    55   320.000  1.410
   53    54   340.000  1.090
   53    61   320.000  1.410
   61    67   230.000  1.697
   67    68   525.000  1.480
   67    69   525.000  1.480
   67    72   230.000  1.697
   72    73   553.000  0.945
   55    62   230.000  1.697
   62    63   525.000  1.480
   62    64   525.000  1.480
   62    70   230.000  1.697
   70    71   553.000  0.945
   49    56   230.000  1.697
   56    57   525.000  1.480
   56    58   525.000  1.480
   56    65   230.000  1.697
   65    66   553.000  0.945
   46    50   230.000  1.697
   50    51   525.000  1.480
   50    52   525.000  1.480
   50    59   230.000  1.697
   59    60   553.000  0.945
   42    43   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    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    53    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    53    47    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    61    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    47    58.35000  112.70000
   40    44    49    50.00000  109.50000
   40    46    50   100.00000  120.50000
   44    40    41    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    53    58.35000  112.70000
   44    47    55    50.00000  109.50000
   44    49    56   100.00000  120.50000
   47    44    45    37.50000  110.70000
   47    53    54    37.50000  110.70000
   47    53    61    50.00000  109.50000
   47    55    62   100.00000  120.50000
   53    33    34    37.50000  110.70000
   53    33    38    58.35000  112.70000
   53    47    48    37.50000  110.70000
   53    61    67   100.00000  120.50000
   61    53    54    35.00000  109.50000
   61    67    68   100.00000  108.23000
   61    67    69   100.00000  108.23000
   61    67    72    45.00000  102.60000
   67    72    73    45.00000  108.50000
   69    67    68   140.00000  119.90000
   72    67    68   100.00000  108.23000
   72    67    69   100.00000  108.23000
   55    47    48    35.00000  109.50000
   55    47    53    50.00000  109.50000
   55    62    63   100.00000  108.23000
   55    62    64   100.00000  108.23000
   55    62    70    45.00000  102.60000
   62    70    71    45.00000  108.50000
   64    62    63   140.00000  119.90000
   70    62    63   100.00000  108.23000
   70    62    64   100.00000  108.23000
   49    44    45    35.00000  109.50000
   49    44    47    50.00000  109.50000
   49    56    57   100.00000  108.23000
   49    56    58   100.00000  108.23000
   49    56    65    45.00000  102.60000
   56    65    66    45.00000  108.50000
   58    56    57   140.00000  119.90000
   65    56    57   100.00000  108.23000
   65    56    58   100.00000  108.23000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   46    50    51   100.00000  108.23000
   46    50    52   100.00000  108.23000
   46    50    59    45.00000  102.60000
   50    59    60    45.00000  108.50000
   52    50    51   140.00000  119.90000
   59    50    51   100.00000  108.23000
   59    50    52   100.00000  108.23000
   42    38    39    35.00000  109.50000
   42    38    40    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    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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    53    47   0.44750  1.0 1.0
   29    33    53    47  -0.17800 -1.0 2.0
   29    33    53    47   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    61   0.56750  1.0 1.0
   29    33    53    61  -0.07550 -1.0 2.0
   29    33    53    61   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.62750  1.0 1.0
   33    38    40    46  -0.30950 -1.0 2.0
   33    38    40    46   0.27300  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    53    61    67  -2.65550  1.0 1.0
   33    53    61    67  -0.22350 -1.0 2.0
   33    53    61    67   0.24150  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    42   0.23400  1.0 3.0
   34    33    53    47   0.15000  1.0 3.0
   34    33    53    54   0.15000  1.0 3.0
   34    33    53    61   0.23400  1.0 3.0
   38    33    53    47   0.56750  1.0 1.0
   38    33    53    47  -0.07550 -1.0 2.0
   38    33    53    47   0.20000  1.0 3.0
   38    33    53    54   0.15000  1.0 3.0
   38    33    53    61   0.62750  1.0 1.0
   38    33    53    61  -0.30950 -1.0 2.0
   38    33    53    61   0.27300  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    47   0.56750  1.0 1.0
   38    40   -44    47  -0.07550 -1.0 2.0
   38    40   -44    47   0.20000  1.0 3.0
   38    40    44    49   0.62750  1.0 1.0
   38    40    44    49  -0.30950 -1.0 2.0
   38    40    44    49   0.27300  1.0 3.0
   38    40    46    50  -2.65550  1.0 1.0
   38    40    46    50  -0.22350 -1.0 2.0
   38    40    46    50   0.24150  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    47    48   0.15000  1.0 3.0
   40    44    47    53   0.56750  1.0 1.0
   40    44    47    53  -0.07550 -1.0 2.0
   40    44    47    53   0.20000  1.0 3.0
   40    44    47    55   0.62750  1.0 1.0
   40    44    47    55  -0.30950 -1.0 2.0
   40    44    47    55   0.27300  1.0 3.0
   40    44    49    56  -2.65550  1.0 1.0
   40    44    49    56  -0.22350 -1.0 2.0
   40    44    49    56   0.24150  1.0 3.0
   40    46    50    51   0.00000  1.0 1.0
   40    46    50    52   0.00000  1.0 1.0
   40    46    50    59   0.05050  1.0 1.0
   40    46    50    59  -1.30700 -1.0 2.0
   40    46    50    59   0.91550  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    44    49   0.23400  1.0 3.0
   41    40    46    50   0.03000  1.0 3.0
   44    40    46    50  -2.65550  1.0 1.0
   44    40    46    50  -0.22350 -1.0 2.0
   44    40    46    50   0.24150  1.0 3.0
   44    47   -53    33   0.56750  1.0 1.0
   44    47   -53    33  -0.07550 -1.0 2.0
   44    47   -53    33   0.20000  1.0 3.0
   44    47    53    54   0.15000  1.0 3.0
   44    47    53    61   0.62750  1.0 1.0
   44    47    53    61  -0.30950 -1.0 2.0
   44    47    53    61   0.27300  1.0 3.0
   44    47    55    62  -2.65550  1.0 1.0
   44    47    55    62  -0.22350 -1.0 2.0
   44    47    55    62   0.24150  1.0 3.0
   44    49    56    57   0.00000  1.0 1.0
   44    49    56    58   0.00000  1.0 1.0
   44    49    56    65   0.05050  1.0 1.0
   44    49    56    65  -1.30700 -1.0 2.0
   44    49    56    65   0.91550  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    53   0.15000  1.0 3.0
   45    44    47    55   0.23400  1.0 3.0
   45    44    49    56   0.03000  1.0 3.0
   47    44    49    56  -2.65550  1.0 1.0
   47    44    49    56  -0.22350 -1.0 2.0
   47    44    49    56   0.24150  1.0 3.0
   47    53    61    67  -2.65550  1.0 1.0
   47    53    61    67  -0.22350 -1.0 2.0
   47    53    61    67   0.24150  1.0 3.0
   47    55    62    63   0.00000  1.0 1.0
   47    55    62    64   0.00000  1.0 1.0
   47    55    62    70   0.05050  1.0 1.0
   47    55    62    70  -1.30700 -1.0 2.0
   47    55    62    70   0.91550  1.0 3.0
   48    47    53    33   0.15000  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    61   0.23400  1.0 3.0
   48    47    55    62   0.03000  1.0 3.0
   53    33    38    39   0.15000  1.0 3.0
   53    33   -38    40   0.56750  1.0 1.0
   53    33   -38    40  -0.07550 -1.0 2.0
   53    33   -38    40   0.20000  1.0 3.0
   53    33    38    42   0.86500  1.0 1.0
   53    33    38    42  -0.17500 -1.0 2.0
   53    33    38    42   0.20800  1.0 3.0
   53    47    55    62  -2.65550  1.0 1.0
   53    47    55    62  -0.22350 -1.0 2.0
   53    47    55    62   0.24150  1.0 3.0
   53    61    67    68   0.00000  1.0 1.0
   53    61    67    69   0.00000  1.0 1.0
   53    61    67    72   0.05050  1.0 1.0
   53    61    67    72  -1.30700 -1.0 2.0
   53    61    67    72   0.91550  1.0 3.0
   54    53    61    67   0.03000  1.0 3.0
   61    67    72    73   0.00000  1.0 1.0
   68    67    72    73   0.00000  1.0 1.0
   69    67    72    73   0.00000  1.0 1.0
   55    47    53    33   0.62750  1.0 1.0
   55    47    53    33  -0.30950 -1.0 2.0
   55    47    53    33   0.27300  1.0 3.0
   55    47    53    54   0.23400  1.0 3.0
   55    47    53    61   1.11900  1.0 1.0
   55    47    53    61  -1.16350 -1.0 2.0
   55    47    53    61  -0.34150  1.0 3.0
   55    62    70    71   0.00000  1.0 1.0
   63    62    70    71   0.00000  1.0 1.0
   64    62    70    71   0.00000  1.0 1.0
   49    44    47    48   0.23400  1.0 3.0
   49    44    47    53   0.62750  1.0 1.0
   49    44    47    53  -0.30950 -1.0 2.0
   49    44    47    53   0.27300  1.0 3.0
   49    44    47    55   1.11900  1.0 1.0
   49    44    47    55  -1.16350 -1.0 2.0
   49    44    47    55  -0.34150  1.0 3.0
   49    56    65    66   0.00000  1.0 1.0
   57    56    65    66   0.00000  1.0 1.0
   58    56    65    66   0.00000  1.0 1.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    47   0.62750  1.0 1.0
   46    40    44    47  -0.30950 -1.0 2.0
   46    40    44    47   0.27300  1.0 3.0
   46    40    44    49   1.11900  1.0 1.0
   46    40    44    49  -1.16350 -1.0 2.0
   46    40    44    49  -0.34150  1.0 3.0
   46    50    59    60   0.00000  1.0 1.0
   51    50    59    60   0.00000  1.0 1.0
   52    50    59    60   0.00000  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   3.69350  1.0 1.0
   42    38    40    46  -1.82950 -1.0 2.0
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
END
