* LIGAND DATABASE FILE (OPLS2005)
*
001      71    72    130    200     379
    1     0 S   NP   _N1_     1    28.69500    95.86447   -22.41794
    2     1 S   H    _HN1     2     1.02778    97.32414   -85.59252
    3     1 S   H    _H1_     3     1.02962    81.01859    21.90050
    4     1 S   H    _H2_     4     1.02833    33.48473   162.84970
    5     1 S   CT   _CA1     5     1.50122   141.55989   133.50344
    6     5 S   HC   _HA1     6     1.09577   105.22966    75.98146
    7     5 S   CO3  _C1_     7     1.53777   112.39443   -44.19568
    8     7 S   O2Z  _O11     8     1.26355   115.00547   -43.79700
    9     7 S   O2Z  _O12     9     1.26241   114.91480   135.37818
   10     5 S   CT   _CB1    10     1.53091   107.41148  -166.15103
   11    10 S   HC   HB11    11     1.09824   109.27304   -51.18702
   12    10 S   HC   HB12    12     1.09822   110.42781    65.32901
   13    10 S   CT   _CG1    13     1.53015   112.72114  -172.33307
   14    13 S   HC   HG11    14     1.09595   110.40657   -64.17675
   15    13 S   HC   HG12    15     1.09649   110.03017    55.06322
   16    13 S   C    _CD1    16     1.51801   112.28423   175.33776
   17    16 S   O    _OE1    17     1.22731   123.26938    -3.61292
   18    16 S   N    _N2_    18     1.38649   111.70820   176.70509
   19    18 S   H    _HN2    19     1.01594   119.08764     0.70137
   20    18 S   CT1  _CA2    20     1.46057   123.22553  -179.98022
   21    20 S   HC   _HA2    21     1.09562   109.22910   -10.59544
   22    20 S   C    _C2_    22     1.53452   108.70369  -125.68057
   23    22 S   O    _O2_    23     1.23028   122.12891  -147.52840
   24    20 S   CT   _CB2    32     1.53405   111.79019   111.83788
   25    24 S   HC   HB21    33     1.09672   109.41044    61.19139
   26    24 S   HC   HB22    34     1.09472   110.90908   178.07654
   27    22 S   N    _N3_    24     1.38478   113.46641    40.09782
   28    27 S   H    _HN3    25     1.01512   118.94910    -0.76156
   29    24 S   S    _SG2    35     1.83022   114.78546   -58.22152
   30    27 S   CT   _CA3    26     1.45443   123.37529   174.51534
   31    30 S   HC   HA31    27     1.09529   109.11502    26.60788
   32    30 S   HC   HA32    28     1.09489   107.14963   143.65276
   33    29 S   CT   _C16    36     1.82740   100.70958   -67.50479
   34    33 S   HC   _H3_    37     1.09241   111.10781    53.36126
   35    30 S   CO3  _C3_    29     1.52958   113.23169   -96.73379
   36    35 S   O2Z  _O31    30     1.26395   115.50021   -41.00274
   37    35 S   O2Z  _O32    31     1.26366   114.90830   139.89998
   38    33 S   C    _C17    38     1.50922   107.37954   172.81078
   39    38 S   O    _O34    39     1.22471   122.53307   -78.39023
   40    38 S   N    _N5_    40     1.38965   108.14944   102.12666
   41    40 S   CA   _C11    41     1.43216   124.13181  -172.50344
   42    40 S   C    _C14    67     1.38713   111.64821     7.49465
   43    42 S   O    _O33    68     1.22346   129.90926  -173.53495
   44    41 S   CA   _C10    42     1.40345   121.46705  -160.38703
   45    44 S   HA   _H16    43     1.08570   121.82035     2.08065
   46    33 S   CT   _C15    69     1.51590   113.55999   -73.65474
   47    46 S   HC   _H19    70     1.09611   110.67759   149.90286
   48    46 S   HC   _H20    71     1.09273   114.57278    26.54091
   49    44 S   CA   _C9_    44     1.40102   121.45418   179.92867
   50    49 S   HA   _H15    45     1.08776   118.74462  -179.73166
   51    49 S   CA   _C8_    46     1.39670   120.84884    -0.06256
   52    51 S   CA   _C13    47     1.39662   118.23260     0.51167
   53    52 S   HA   _H18    48     1.08776   120.41942   178.93872
   54    51 S   CT   _C7_    51     1.50740   120.88677  -179.96044
   55    54 S   HC   _H13    52     1.09796   109.57065  -147.91734
   56    54 S   HC   _H14    53     1.09796   109.57505   -31.33547
   57    41 S   CA   _C12    49     1.40360   121.37880    19.82936
   58    57 S   HA   _H17    50     1.08588   121.79108     2.33406
   59    54 S   NP   _N4_    54     1.54795   117.60606    90.37370
   60    59 S   CT   _C4_    55     1.52373   111.29892   -61.16710
   61    60 S   HC   _H4_    56     1.09378   108.47081   -54.19036
   62    60 S   HC   _H5_    57     1.09299   108.93164    66.64301
   63    60 S   HC   _H6_    58     1.09436   108.38484  -174.04474
   64    59 S   CT   _C5_    59     1.52379   111.30513    61.13784
   65    64 S   HC   _H7_    60     1.09378   108.47049    54.15175
   66    64 S   HC   _H8_    61     1.09436   108.38330   174.00439
   67    64 S   HC   _H9_    62     1.09298   108.93380   -66.68926
   68    59 S   CT   _C6_    63     1.53039   107.95913   179.98022
   69    68 S   HC   _H10    64     1.09403   108.41173   -60.06828
   70    68 S   HC   _H11    65     1.09403   108.41188    60.05267
   71    68 S   HC   _H12    66     1.09415   108.56224   180.00000
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  10   7   2   1   1  10   4  12  12   6   3   8   4   2   1   1
   9   3  11   7   3  16   5   4   1   1  12  11   4   3   2   7
   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    46    47    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    46    47    48  
   38    39    40    42    46    47    48  
   36    37  
   37  
    0  
   39    40    41    44    57    42    43    46    47    48  
   40    41    42    46  
   41    44    45    49    52    57    58    42    43    46    47    48  
   44    45    49    50    51    52    53    57    58    42    43    46  
   43    46    47    48    44    57  
   46    47    48  
   45    49    50    51    52    57    58    54  
   49    50    51    57  
   47    48  
   48  
    0  
   50    51    52    53    57    54    55    56    59  
   51    52    54  
   52    53    57    58    54    55    56    59    60    64    68  
   53    57    58    54    55    56    59  
   57    58    54  
   55    56    59    60    61    62    63    64    65    66    67    68    69    70    71    57  
   56    59    60    64    68  
   59    60    64    68  
   58  
    0  
   60    61    62    63    64    65    66    67    68    69    70    71  
   61    62    63    64    65    66    67    68    69    70    71  
   62    63    64    68  
   63    64    68  
   64    68  
   65    66    67    68    69    70    71  
   66    67    68  
   67    68  
   68  
   69    70    71  
   70    71  
   71  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660  -0.052500   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   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   40   3.2500   0.1700  -0.206700   1.8100   1.6000   0.054801302  -1.445846770
   41   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   42   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660   0.117500   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.2500   0.1700   0.510000   2.0080   1.7800   0.003973653   1.685851020
   60   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.057500   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    46   268.000  1.529
   38    39   570.000  1.229
   38    40   490.000  1.335
   40    41   360.000  1.404
   40    42   490.000  1.335
   41    44   469.000  1.400
   41    57   469.000  1.400
   44    45   367.000  1.080
   44    49   469.000  1.400
   49    50   367.000  1.080
   49    51   469.000  1.400
   51    52   469.000  1.400
   51    54   317.000  1.510
   52    53   367.000  1.080
   52    57   469.000  1.400
   57    58   367.000  1.080
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   367.000  1.471
   59    60   367.000  1.471
   59    64   367.000  1.471
   59    68   367.000  1.471
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   42    43   570.000  1.229
   42    46   317.000  1.522
   46    47   340.000  1.090
   46    48   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    70.00000  112.33000
   29    33    46    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    70.00000  116.60000
   33    46    42    63.00000  111.10000
   33    46    47    37.50000  110.70000
   33    46    48    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  121.96500
   38    40    42    70.00000  121.37400
   40    38    39    80.00000  122.90000
   40    41    44    70.00000  119.01900
   40    41    57    70.00000  119.01900
   40    42    43    80.00000  122.90000
   40    42    46    70.00000  116.60000
   41    44    45    35.00000  120.00000
   41    44    49    63.00000  120.00000
   41    57    52    63.00000  120.00000
   41    57    58    35.00000  120.00000
   44    49    50    35.00000  120.00000
   44    49    51    63.00000  120.00000
   49    44    45    35.00000  120.00000
   49    51    52    63.00000  120.00000
   49    51    54    70.00000  120.00000
   51    49    50    35.00000  120.00000
   51    52    53    35.00000  120.00000
   51    52    57    63.00000  120.00000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    59    75.00000  110.83300
   52    57    58    35.00000  120.00000
   57    41    44    63.00000  120.00000
   57    52    53    35.00000  120.00000
   54    51    52    70.00000  120.00000
   54    59    60    75.00000  113.01200
   54    59    64    75.00000  113.01200
   54    59    68    75.00000  113.01200
   56    54    55    33.00000  107.80000
   59    54    55    35.00000  109.50000
   59    54    56    35.00000  109.50000
   59    60    61    35.00000  109.50000
   59    60    62    35.00000  109.50000
   59    60    63    35.00000  109.50000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    67    35.00000  109.50000
   59    68    69    35.00000  109.50000
   59    68    70    35.00000  109.50000
   59    68    71    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    59    60    75.00000  113.01200
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    59    60    75.00000  113.01200
   68    59    64    75.00000  113.01200
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   42    40    41    65.00000  121.96500
   42    46    47    35.00000  109.50000
   42    46    48    35.00000  109.50000
   46    33    34    37.50000  110.70000
   46    33    38    63.00000  111.10000
   46    42    43    80.00000  120.40000
   48    46    47    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  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    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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   0.30150 -1.0 2.0
   29    33    38    40   0.00000  1.0 1.0
   29    33    46    42   0.56750  1.0 1.0
   29    33    46    42  -0.07550 -1.0 2.0
   29    33    46    42   0.20000  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    48   0.15000  1.0 3.0
   33    38    40    41   0.76000  1.0 1.0
   33    38    40    41   4.11600 -1.0 2.0
   33    38   -40    42   2.45000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    46    42  -0.11250  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   34    33    46    48   0.15000  1.0 3.0
   38    33   -46    42   0.11950  1.0 1.0
   38    33   -46    42   0.20300 -1.0 2.0
   38    33   -46    42  -0.70800  1.0 3.0
   38    33    46    47  -0.11250  1.0 3.0
   38    33    46    48  -0.11250  1.0 3.0
   38    40    41    44   1.00100  1.0 1.0
   38    40    41    44   0.85050 -1.0 2.0
   38    40    41    57   1.00100  1.0 1.0
   38    40    41    57   0.85050 -1.0 2.0
   38    40    42    43   2.22250 -1.0 2.0
   38    40   -42    46   2.45000 -1.0 2.0
   39    38    40    41   0.04000 -1.0 2.0
   39    38    40    42   2.22250 -1.0 2.0
   40    41    44    45   3.62500 -1.0 2.0
   40    41    44    49   3.62500 -1.0 2.0
   40    41    57    52   3.62500 -1.0 2.0
   40    41    57    58   3.62500 -1.0 2.0
   40    42   -46    33   1.39750  1.0 1.0
   40    42   -46    33  -0.07950 -1.0 2.0
   40    42   -46    33  -0.18750  1.0 3.0
   40    42    46    47   0.00000  1.0 1.0
   40    42    46    48   0.00000  1.0 1.0
   41    40    42    43   0.04000 -1.0 2.0
   41    40    42    46   0.76000  1.0 1.0
   41    40    42    46   4.11600 -1.0 2.0
   41    44    49    50   3.62500 -1.0 2.0
   41    44    49    51   3.62500 -1.0 2.0
   44    41    57    52   3.62500 -1.0 2.0
   44    41    57    58   3.62500 -1.0 2.0
   44    49   -51    52   3.62500 -1.0 2.0
   44    49    51    54   3.62500 -1.0 2.0
   45    44    49    50   3.62500 -1.0 2.0
   45    44    49    51   3.62500 -1.0 2.0
   49    51    52    53   3.62500 -1.0 2.0
   49    51    52    57   3.62500 -1.0 2.0
   49    51    54    55   0.00000  1.0 1.0
   49    51    54    56   0.00000  1.0 1.0
   49    51    54    59  -0.46400 -1.0 2.0
   50    49    51    52   3.62500 -1.0 2.0
   50    49    51    54   3.62500 -1.0 2.0
   51    52   -57    41   3.62500 -1.0 2.0
   51    52    57    58   3.62500 -1.0 2.0
   51    54    59    60   0.03550  1.0 1.0
   51    54    59    60   0.09800 -1.0 2.0
   51    54    59    64   0.03550  1.0 1.0
   51    54    59    64   0.09800 -1.0 2.0
   51    54    59    68   0.03550  1.0 1.0
   51    54    59    68   0.09800 -1.0 2.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    56   0.00000  1.0 1.0
   52    51    54    59  -0.46400 -1.0 2.0
   53    52    57    41   3.62500 -1.0 2.0
   53    52    57    58   3.62500 -1.0 2.0
   57    41    44    45   3.62500 -1.0 2.0
   57    41   -44    49   3.62500 -1.0 2.0
   54    51    52    53   3.62500 -1.0 2.0
   54    51    52    57   3.62500 -1.0 2.0
   54    59    60    61   0.15000  1.0 3.0
   54    59    60    62   0.15000  1.0 3.0
   54    59    60    63   0.15000  1.0 3.0
   54    59    64    65   0.15000  1.0 3.0
   54    59    64    66   0.15000  1.0 3.0
   54    59    64    67   0.15000  1.0 3.0
   54    59    68    69   0.15000  1.0 3.0
   54    59    68    70   0.15000  1.0 3.0
   54    59    68    71   0.15000  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    64   0.15000  1.0 3.0
   55    54    59    68   0.15000  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    64   0.15000  1.0 3.0
   56    54    59    68   0.15000  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    67   0.15000  1.0 3.0
   60    59    68    69   0.15000  1.0 3.0
   60    59    68    70   0.15000  1.0 3.0
   60    59    68    71   0.15000  1.0 3.0
   64    59    60    61   0.15000  1.0 3.0
   64    59    60    62   0.15000  1.0 3.0
   64    59    60    63   0.15000  1.0 3.0
   64    59    68    69   0.15000  1.0 3.0
   64    59    68    70   0.15000  1.0 3.0
   64    59    68    71   0.15000  1.0 3.0
   68    59    60    61   0.15000  1.0 3.0
   68    59    60    62   0.15000  1.0 3.0
   68    59    60    63   0.15000  1.0 3.0
   68    59    64    65   0.15000  1.0 3.0
   68    59    64    66   0.15000  1.0 3.0
   68    59    64    67   0.15000  1.0 3.0
   42    40    41    44   1.00100  1.0 1.0
   42    40    41    44   0.85050 -1.0 2.0
   42    40    41    57   1.00100  1.0 1.0
   42    40    41    57   0.85050 -1.0 2.0
   43    42    46    33   0.30150 -1.0 2.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    48   0.00000  1.0 1.0
   46    33    38    39   0.30150 -1.0 2.0
   46    33   -38    40   1.39750  1.0 1.0
   46    33   -38    40  -0.07950 -1.0 2.0
   46    33   -38    40  -0.18750  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   42    38    40    41   1.00000 -1.0 2.0
   44    57    41    40   4.00000 -1.0 2.0
   49    45    44    41   1.10000 -1.0 2.0
   51    50    49    44   1.10000 -1.0 2.0
   52    54    51    49   4.00000 -1.0 2.0
   57    53    52    51   1.10000 -1.0 2.0
   52    58    57    41   1.10000 -1.0 2.0
   40    46    42    43  10.50000 -1.0 2.0
END
