* LIGAND DATABASE FILE (OPLS2005)
*
001      57    57    102    155     305
    1     0 S   NP   _N1_     1    28.02049    96.07196   -22.38405
    2     1 S   H    _HN1     2     1.02957    80.07756    -6.04153
    3     1 S   H    _H1_     3     1.02835    32.98558   138.66982
    4     1 S   H    _H2_     4     1.02776    99.59809  -113.15975
    5     1 S   CT   _CA1     5     1.50123   139.94381   103.92790
    6     5 S   HC   _HA1     6     1.09574   105.22630    78.55070
    7     5 S   CO3  _C1_     7     1.53794   112.37294   -41.66362
    8     7 S   O2Z  _O11     8     1.26365   115.00104   -43.83304
    9     7 S   O2Z  _O12     9     1.26237   114.93519   135.31764
   10     5 S   CT   _CB1    10     1.53100   107.42703  -163.52255
   11    10 S   HC   HB11    11     1.09826   109.35938   -50.50092
   12    10 S   HC   HB12    12     1.09817   110.41398    66.06380
   13    10 S   CT   _CG1    13     1.53010   112.65521  -171.57501
   14    13 S   HC   HG11    14     1.09595   110.47729   -63.85672
   15    13 S   HC   HG12    15     1.09654   109.93450    55.33922
   16    13 S   C    _CD1    16     1.51834   112.34111   175.72511
   17    16 S   O    _OE1    17     1.22744   123.30484    -0.57267
   18    16 S   N    _N2_    18     1.38565   111.67810   179.37099
   19    18 S   H    _HN2    19     1.01561   118.95896     4.96065
   20    18 S   CT1  _CA2    20     1.45822   122.93314   178.05157
   21    20 S   HC   _HA2    21     1.09729   108.99982    21.89617
   22    20 S   C    _C2_    22     1.52940   107.07668   -95.09990
   23    22 S   O    _O2_    23     1.22969   123.06849   -25.27183
   24    20 S   CT   _CB2    32     1.53231   112.15516   144.97850
   25    24 S   HC   HB21    33     1.09591   110.22476    54.73207
   26    24 S   HC   HB22    34     1.09434   109.93383   173.74007
   27    22 S   N    _N3_    24     1.38492   112.52628   157.52203
   28    27 S   H    _HN3    25     1.01653   120.34634    -2.61359
   29    24 S   S    _SG2    35     1.82566   111.14346   -66.15727
   30    27 S   CT   _CA3    26     1.45360   122.54344   178.43652
   31    30 S   HC   HA31    27     1.09566   107.96003   -52.73790
   32    30 S   HC   HA32    28     1.09558   107.49711    63.63552
   33    29 S   CT   _C8_    36     1.83952    99.89303   170.67485
   34    33 S   HC   _H6_    37     1.09778   106.76600   -51.88484
   35    30 S   CO3  _C3_    29     1.52899   114.26693  -174.70779
   36    35 S   O2Z  _O31    30     1.26342   116.04028     0.81253
   37    35 S   O2Z  _O32    31     1.26429   114.42093  -179.27046
   38    33 S   CT   _C7_    38     1.54000   113.46180    66.61737
   39    38 S   HC   _H5_    39     1.09571   109.72028   -63.00082
   40    38 S   CT   _C6_    40     1.53556   109.86438   176.85677
   41    40 S   HC   _H4_    41     1.09663   110.27945  -171.32878
   42    38 S   OH   _O35    56     1.42535   111.03511    56.11401
   43    42 S   HO   _H11    57     0.97231   107.82677  -175.71056
   44    40 S   CT   _C5_    42     1.53815   111.36874   -50.51257
   45    44 S   HC   _H3_    43     1.09735   110.25454   -65.34398
   46    40 S   OH   _O36    54     1.42799   109.26493    70.61265
   47    46 S   HO   _H12    55     0.97265   107.68215    62.26536
   48    44 S   OS   _O33    44     1.43726   110.71644    54.17879
   49    44 S   CT   _C4_    49     1.53004   111.77317   173.67848
   50    49 S   HC   _H8_    50     1.09440   111.04730    49.50691
   51    49 S   HC   _H9_    51     1.09487   111.42800   -73.02930
   52    33 S   CO   _C9_    45     1.54063   110.33902  -167.55214
   53    52 S   HC   _H7_    46     1.09662   109.12830    60.61305
   54    49 S   OH   _O37    52     1.42535   109.11795   168.25993
   55    54 S   HO   _H13    53     0.97232   106.99070   178.25639
   56    52 S   OH   _O34    47     1.42313   112.41211   -58.68861
   57    56 S   HO   _H10    48     0.97178   106.81393   155.76334
  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
  14   8   2   1   1  14   7  13   7   4   1  12   7   3   1   8
   5   3   2   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    52    53    56    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    52    53    56    57    46    42    43  
   38    39    40    48    52    53    56    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    52    53    56    49    46    47    42    43  
   40    41    44    52    46    42    43  
   41    44    45    48    52    49    50    51    54    46    47    42    43  
   44    45    48    49    46    47    42  
   43    44    46    52  
    0  
   45    48    52    53    56    49    50    51    54    55    46    47  
   48    52    49    50    51    54    46  
   47    48    49  
    0  
   52    53    56    57    49    50    51    54  
   50    51    54    55    52  
   51    54    55  
   54    55  
   53    56    57  
   56    57  
   55  
    0  
   57  
    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   0.205000   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.145000   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   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   57   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    52   250.000  1.527
   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    48   320.000  1.410
   44    49   268.000  1.529
   48    52   320.000  1.380
   52    53   340.000  1.090
   52    56   380.000  1.407
   56    57   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   320.000  1.410
   54    55   553.000  0.945
   46    47   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    52    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    52    48    90.00000  108.56700
   33    52    53    45.00000  112.01100
   33    52    56    90.00000  110.19100
   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    48    50.00000  109.50000
   40    44    49    58.35000  112.70000
   40    46    47    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    48    52    60.00000  109.50000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    54    50.00000  109.50000
   48    44    45    35.00000  109.50000
   48    52    53    35.00000  109.50000
   48    52    56   110.00000  112.08000
   52    33    34    45.00000  108.72000
   52    33    38    75.00000  109.43000
   52    56    57    70.00000  107.92000
   56    52    53    60.00000  108.02500
   49    44    45    37.50000  110.70000
   49    44    48    50.00000  109.50000
   49    54    55    55.00000  108.50000
   51    49    50    33.00000  107.80000
   54    49    50    35.00000  109.50000
   54    49    51    35.00000  109.50000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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    52    48   0.56750  1.0 1.0
   29    33    52    48  -0.07550 -1.0 2.0
   29    33    52    48   0.20000  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    56   0.56750  1.0 1.0
   29    33    52    56  -0.07550 -1.0 2.0
   29    33    52    56   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   0.86500  1.0 1.0
   33    38    40    46  -0.17500 -1.0 2.0
   33    38    40    46   0.20800  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    52    56    57  -0.11600  1.0 1.0
   33    52    56    57  -0.09450 -1.0 2.0
   33    52    56    57   0.21250  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    52    48   0.23400  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    56   0.23400  1.0 3.0
   38    33    52    48   0.62750  1.0 1.0
   38    33    52    48  -0.30950 -1.0 2.0
   38    33    52    48   0.27300  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    56   0.86500  1.0 1.0
   38    33    52    56  -0.17500 -1.0 2.0
   38    33    52    56   0.20800  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    48   0.62750  1.0 1.0
   38    40   -44    48  -0.30950 -1.0 2.0
   38    40   -44    48   0.27300  1.0 3.0
   38    40    44    49   0.56750  1.0 1.0
   38    40    44    49  -0.07550 -1.0 2.0
   38    40    44    49   0.20000  1.0 3.0
   38    40    46    47  -0.11600  1.0 1.0
   38    40    46    47  -0.09450 -1.0 2.0
   38    40    46    47   0.21250  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    48    52   0.06250  1.0 1.0
   40    44    48    52  -0.01100 -1.0 2.0
   40    44    48    52   0.28050  1.0 3.0
   40    44    49    50   0.15000  1.0 3.0
   40    44    49    51   0.15000  1.0 3.0
   40    44    49    54   0.86500  1.0 1.0
   40    44    49    54  -0.17500 -1.0 2.0
   40    44    49    54   0.20800  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    48   0.23400  1.0 3.0
   41    40    44    49   0.15000  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   44    40    46    47  -0.11600  1.0 1.0
   44    40    46    47  -0.09450 -1.0 2.0
   44    40    46    47   0.21250  1.0 3.0
   44    48   -52    33   0.06250  1.0 1.0
   44    48   -52    33  -0.01100 -1.0 2.0
   44    48   -52    33   0.28050  1.0 3.0
   44    48    52    53   0.37050  1.0 3.0
   44    48    52    56  -0.81800  1.0 1.0
   44    49    54    55  -0.11600  1.0 1.0
   44    49    54    55  -0.09450 -1.0 2.0
   44    49    54    55   0.21250  1.0 3.0
   45    44    48    52   0.37050  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    54   0.23400  1.0 3.0
   48    44    49    50   0.23400  1.0 3.0
   48    44    49    51   0.23400  1.0 3.0
   48    44    49    54   3.69350  1.0 1.0
   48    44    49    54  -1.82950 -1.0 2.0
   48    52    56    57  -0.50000  1.0 1.0
   48    52    56    57  -0.73950 -1.0 2.0
   48    52    56    57   0.17150  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33   -38    40   3.97050  1.0 1.0
   52    33    38    42   0.86500  1.0 1.0
   52    33    38    42  -0.17500 -1.0 2.0
   52    33    38    42   0.20800  1.0 3.0
   53    52    56    57   0.19450  1.0 3.0
   49    44    48    52   0.06250  1.0 1.0
   49    44    48    52  -0.01100 -1.0 2.0
   49    44    48    52   0.28050  1.0 3.0
   50    49    54    55   0.19450  1.0 3.0
   51    49    54    55   0.19450  1.0 3.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    48   3.69350  1.0 1.0
   46    40    44    48  -1.82950 -1.0 2.0
   46    40    44    49   0.86500  1.0 1.0
   46    40    44    49  -0.17500 -1.0 2.0
   46    40    44    49   0.20800  1.0 3.0
   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   3.75450  1.0 1.0
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
