* LIGAND DATABASE FILE (OPLS2005)
*
001      56    56    102    150     298
    1     0 S   NP   _N1_     1    28.76428    95.82362   -23.42700
    2     1 S   H    _HN1     2     1.02949    75.31366    10.91704
    3     1 S   H    _H1_     3     1.02828    34.67418   166.77419
    4     1 S   H    _H2_     4     1.02786   105.75717   -94.41791
    5     1 S   CT   _CA1     5     1.50109   136.58034   115.24516
    6     5 S   HC   _HA1     6     1.09573   105.19752    87.68209
    7     5 S   CO3  _C1_     7     1.53787   112.46981   -32.56239
    8     7 S   O2Z  _O11     8     1.26371   115.00912   -42.55611
    9     7 S   O2Z  _O12     9     1.26240   114.94558   136.59533
   10     5 S   CT   _CB1    10     1.53080   107.42312  -154.33015
   11    10 S   HC   HB11    11     1.09833   109.37468   -49.72183
   12    10 S   HC   HB12    12     1.09812   110.44685    66.88722
   13    10 S   CT   _CG1    13     1.52991   112.60380  -170.69747
   14    13 S   HC   HG11    14     1.09580   110.63572   -65.63845
   15    13 S   HC   HG12    15     1.09670   109.78008    53.59200
   16    13 S   C    _CD1    16     1.51800   112.22308   174.05301
   17    16 S   O    _OE1    17     1.22731   123.28292     7.12957
   18    16 S   N    _N2_    18     1.38657   111.67436  -172.96285
   19    18 S   H    _HN2    19     1.01578   118.92593     1.78224
   20    18 S   CT1  _CA2    20     1.46202   123.39446   177.36366
   21    20 S   HC   _HA2    21     1.09735   109.36076     3.08693
   22    20 S   C    _C2_    22     1.53567   108.57953  -112.38867
   23    22 S   O    _O2_    23     1.23058   122.30102  -147.65886
   24    20 S   CT   _CB2    32     1.53285   111.60960   125.11586
   25    24 S   HC   HB21    33     1.09598   110.19451    56.19670
   26    24 S   HC   HB22    34     1.09502   110.10970   175.28225
   27    22 S   N    _N3_    24     1.38332   113.70525    39.76892
   28    27 S   H    _HN3    25     1.01580   119.59255    -3.24986
   29    24 S   S    _SG2    35     1.82693   111.65124   -64.73186
   30    27 S   CT   _CA3    26     1.45284   123.21764   177.15641
   31    30 S   HC   HA31    27     1.09549   107.50617   -64.73788
   32    30 S   HC   HA32    28     1.09556   107.99347    51.70453
   33    29 S   CT   _C9_    36     1.82999    98.87756   176.28722
   34    33 S   HC   _H4_    37     1.09485   107.00648   -58.97134
   35    30 S   CO3  _C3_    29     1.52960   114.07393   173.70674
   36    35 S   O2Z  _O31    30     1.26376   116.07096    -0.64437
   37    35 S   O2Z  _O32    31     1.26427   114.41378   179.41684
   38    33 S   CT   _C8_    38     1.53094   108.80637  -178.83165
   39    38 S   HC   _H8_    39     1.09873   109.43628   -62.07135
   40    38 S   HC   _H9_    40     1.09772   109.84217    56.79697
   41    38 S   CT   _C7_    41     1.53283   111.02052   177.91597
   42    41 S   CO4  _C6_    42     1.52613   109.74429    49.48479
   43    42 S   O    _O33    43     1.23218   122.04540   145.91788
   44    41 S   CT   _C10    51     1.52787   110.44924   173.16944
   45    44 S   HC   _H10    52     1.09581   110.82427    58.68022
   46    44 S   HC   _H11    53     1.09512   111.59553   -62.60147
   47    44 S   HC   _H12    54     1.09622   111.18383   176.84483
   48    41 S   OH   _O35    55     1.42327   108.89797   -67.48620
   49    48 S   HO   _H13    56     0.97325   108.08896  -174.15098
   50    42 S   CT   _C5_    44     1.52502   117.19311   -38.84981
   51    50 S   HC   _H3_    45     1.09658   106.41466   153.84233
   52    33 S   OS   _O34    46     1.42611   110.50554    61.24763
   53    50 S   CT   _C4_    47     1.52266   111.48098   -88.77148
   54    53 S   HC   _H5_    48     1.09402   112.14782    62.12759
   55    53 S   HC   _H6_    49     1.09481   110.98177   -58.13968
   56    53 S   HC   _H7_    50     1.09509   110.39707  -178.85568
  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   8   5   4   3
  12   6   2   1   1  13   6   5  12  14   6   6   3   2   1   2
   1   6   5   4   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    50    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    50    51    52    53    44    48  
   38    39    40    41    50    52  
   36    37  
   37  
    0  
   39    40    41    42    43    50    52    44    45    46    47    48    49  
   40    41    42    52    44    48  
   41    42    52    44    48  
   42    43    50    51    52    53    44    45    46    47    48    49  
   43    50    51    52    53    54    55    56    44    45    46    47    48    49  
   50    51    52    53    44    48  
   45    46    47    48    49    50  
   46    47    48  
   47    48  
   48  
   49    50  
    0  
   51    52    53    54    55    56  
   52    53    54    55    56  
   53    54    55    56  
   54    55    56  
   55    56  
   56  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    52   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   317.000  1.522
   41    44   268.000  1.529
   41    48   320.000  1.410
   42    43   570.000  1.229
   42    50   317.000  1.522
   50    51   340.000  1.090
   50    52   320.000  1.410
   50    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   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    52    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    52    50    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    63.00000  111.10000
   38    41    44    58.35000  112.70000
   38    41    48    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    42    43    80.00000  120.40000
   41    42    50    70.00000  116.00000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    47    37.50000  110.70000
   41    48    49    55.00000  108.50000
   42    50    51    35.00000  109.50000
   42    50    52    90.00000  108.74100
   42    50    53    63.00000  111.10000
   50    42    43    80.00000  120.40000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   52    33    34    35.00000  109.50000
   52    33    38    50.00000  109.50000
   52    50    51    35.00000  109.50000
   53    50    51    37.50000  110.70000
   53    50    52    50.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   44    41    42    63.00000  111.10000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    41    42    90.00000  109.61100
   48    41    44    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    52   0.13850  1.0 1.0
   24    29    33    52  -1.34450 -1.0 2.0
   24    29    33    52   0.57400  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   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    52    50   0.14700  1.0 1.0
   29    33    52    50  -1.16150 -1.0 2.0
   29    33    52    50   0.48700  1.0 3.0
   33    38    41    42  -0.95700  1.0 1.0
   33    38    41    42  -0.18200 -1.0 2.0
   33    38    41    42   0.29450  1.0 3.0
   33    38    41    44   0.56750  1.0 1.0
   33    38    41    44  -0.07550 -1.0 2.0
   33    38    41    44   0.20000  1.0 3.0
   33    38    41    48   0.86500  1.0 1.0
   33    38    41    48  -0.17500 -1.0 2.0
   33    38    41    48   0.20800  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   0.15000  1.0 3.0
   34    33    52    50   0.37050  1.0 3.0
   38    33    52    50   0.06250  1.0 1.0
   38    33    52    50  -0.01100 -1.0 2.0
   38    33    52    50   0.28050  1.0 3.0
   38    41    42    43   0.30150 -1.0 2.0
   38    41   -42    50   0.60050  1.0 1.0
   38    41   -42    50   0.05600 -1.0 2.0
   38    41   -42    50   0.26150  1.0 3.0
   38    41    44    45   0.15000  1.0 3.0
   38    41    44    46   0.15000  1.0 3.0
   38    41    44    47   0.15000  1.0 3.0
   38    41    48    49  -0.11600  1.0 1.0
   38    41    48    49  -0.09450 -1.0 2.0
   38    41    48    49   0.21250  1.0 3.0
   39    38    41    42  -0.11250  1.0 3.0
   39    38    41    44   0.15000  1.0 3.0
   39    38    41    48   0.23400  1.0 3.0
   40    38    41    42  -0.11250  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   40    38    41    48   0.23400  1.0 3.0
   41    42    50    51   0.00000  1.0 1.0
   41    42    50    52   0.55300  1.0 1.0
   41    42    50    52   1.25850 -1.0 2.0
   41    42    50    52  -0.23600  1.0 3.0
   41    42    50    53   0.60050  1.0 1.0
   41    42    50    53   0.05600 -1.0 2.0
   41    42    50    53   0.26150  1.0 3.0
   42    41    44    45  -0.11250  1.0 3.0
   42    41    44    46  -0.11250  1.0 3.0
   42    41    44    47  -0.11250  1.0 3.0
   42    41    48    49   0.91850  1.0 1.0
   42    41    48    49   0.57950  1.0 3.0
   42    50   -52    33  -1.11000  1.0 1.0
   42    50   -52    33   0.50250 -1.0 2.0
   42    50   -52    33   0.47450  1.0 3.0
   42    50    53    54  -0.11250  1.0 3.0
   42    50    53    55  -0.11250  1.0 3.0
   42    50    53    56  -0.11250  1.0 3.0
   43    42    50    51   0.00000  1.0 1.0
   43    42    50    52   0.30150 -1.0 2.0
   43    42    50    53   0.30150 -1.0 2.0
   51    50    52    33   0.37050  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   52    33    38    39   0.23400  1.0 3.0
   52    33    38    40   0.23400  1.0 3.0
   52    33   -38    41   0.62750  1.0 1.0
   52    33   -38    41  -0.30950 -1.0 2.0
   52    33   -38    41   0.27300  1.0 3.0
   52    50    53    54   0.23400  1.0 3.0
   52    50    53    55   0.23400  1.0 3.0
   52    50    53    56   0.23400  1.0 3.0
   53    50    52    33   0.06250  1.0 1.0
   53    50    52    33  -0.01100 -1.0 2.0
   53    50    52    33   0.28050  1.0 3.0
   44    41    42    43   0.30150 -1.0 2.0
   44    41    42    50   0.60050  1.0 1.0
   44    41    42    50   0.05600 -1.0 2.0
   44    41    42    50   0.26150  1.0 3.0
   44    41    48    49  -0.11600  1.0 1.0
   44    41    48    49  -0.09450 -1.0 2.0
   44    41    48    49   0.21250  1.0 3.0
   48    41    42    43   0.30150 -1.0 2.0
   48    41    42    50   0.55300  1.0 1.0
   48    41    42    50   1.25850 -1.0 2.0
   48    41    42    50  -0.23600  1.0 3.0
   48    41    44    45   0.23400  1.0 3.0
   48    41    44    46   0.23400  1.0 3.0
   48    41    44    47   0.23400  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    50    42    43  10.50000 -1.0 2.0
END
