* LIGAND DATABASE FILE (OPLS2005)
*
001      56    55     97    144     289
    1     0 S   NP   _N1_     1    29.17465    92.76591   -21.99856
    2     1 S   H    _HN1     2     1.02981    97.74297    33.89009
    3     1 S   H    _H1_     3     1.02814    18.06774   156.35899
    4     1 S   H    _H2_     4     1.02770    97.31042   -75.78732
    5     1 S   CT   _CA1     5     1.50198   128.86653   157.77119
    6     5 S   HC   _HA1     6     1.09589   105.15272    58.71305
    7     5 S   CO3  _C1_     7     1.53786   112.53278   -61.06711
    8     7 S   O2Z  _O11     8     1.26338   115.05953   -38.89841
    9     7 S   O2Z  _O12     9     1.26273   114.91817   140.07304
   10     5 S   CT   _CB1    10     1.53057   107.22667   176.29414
   11    10 S   HC   HB11    11     1.09807   108.92369   -52.75898
   12    10 S   HC   HB12    12     1.09815   110.39654    63.50924
   13    10 S   CT   _CG1    13     1.53007   113.01558  -174.27046
   14    13 S   HC   HG11    14     1.09590   110.05743   -66.51990
   15    13 S   HC   HG12    15     1.09628   110.33550    52.64664
   16    13 S   C    _CD1    16     1.51810   112.09850   172.36941
   17    16 S   O    _OE1    17     1.22756   123.07227   -19.27337
   18    16 S   N    _N2_    18     1.38652   111.97481   162.46316
   19    18 S   H    _HN2    19     1.01557   119.17920     1.85688
   20    18 S   CT1  _CA2    20     1.46047   123.16665  -178.75636
   21    20 S   HC   _HA2    21     1.09591   109.34433    -2.13304
   22    20 S   C    _C2_    22     1.53480   109.01645  -117.49889
   23    22 S   O    _O2_    23     1.23059   122.02551  -147.50403
   24    20 S   CT   _CB2    32     1.53434   111.71669   119.97227
   25    24 S   HC   HB21    33     1.09661   109.59260    65.07144
   26    24 S   HC   HB22    34     1.09581   110.70067  -177.78283
   27    22 S   N    _N3_    24     1.38450   113.67114    39.92642
   28    27 S   H    _HN3    25     1.01504   118.96456    -0.51091
   29    24 S   S    _SG2    35     1.82869   115.10209   -54.74773
   30    27 S   CT   _CA3    26     1.45439   123.43367   175.37208
   31    30 S   HC   HA31    27     1.09524   109.28966    24.38811
   32    30 S   HC   HA32    28     1.09501   107.13787   141.34732
   33    29 S   CT   _C8_    36     1.83472    99.99821   -63.95388
   34    33 S   HC   _H9_    37     1.09208   108.42549    62.60208
   35    33 S   HC   _H10    38     1.09484   106.45499   -54.31806
   36    30 S   CO3  _C3_    29     1.52887   112.94938   -99.12941
   37    36 S   O2Z  _O31    30     1.26409   115.29549   -49.07145
   38    36 S   O2Z  _O32    31     1.26339   115.06752   131.83590
   39    33 S   CT   _C7_    39     1.53806   112.38612  -174.95787
   40    39 S   CO3  _C9_    40     1.55538   116.08207   -63.75884
   41    40 S   O2Z  _O35    41     1.26538   115.38344   159.67278
   42    40 S   O2Z  _O34    42     1.26368   115.87833   -21.00364
   43    39 S   CT   _C6_    43     1.55087   112.46305   173.95574
   44    43 S   HC   _H3_    44     1.09770   109.67129  -175.86578
   45    39 S   OH   _O36    55     1.44304   108.18041    57.68572
   46    45 S   HO   _H11    56     0.97364   106.77088   -67.00135
   47    43 S   CT   _C4_    45     1.53417   115.05798    60.68166
   48    47 S   HC   _H4_    46     1.09551   111.13731    53.98528
   49    47 S   HC   _H5_    47     1.09686   110.61337   -64.06879
   50    43 S   OH   _O37    53     1.43458   108.97277   -60.46702
   51    50 S   HO   _H12    54     0.97401   106.38332   -50.60479
   52    47 S   CT   _C5_    48     1.52652   112.03155   175.70755
   53    52 S   HC   _H6_    49     1.09432   111.32595    62.31563
   54    52 S   HC   _H7_    50     1.09464   110.81113   -59.21924
   55    52 S   OH   _O33    51     1.42206   108.87396  -178.36326
   56    55 S   HO   _H8_    52     0.97223   106.98710   179.86152
  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   7   5   4   3
  12   5   4   2   1   1  13   8   3   2  12   7   3   1   9   6
   5   2   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    43    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    47    50    45    46  
   35    39    40    43    45  
   39    40    43    45  
   37    38  
   38  
    0  
   40    41    42    43    44    47    48    49    52    50    51    45    46  
   41    42    43    44    47    50    45    46  
   42    43    45  
   43    45  
   44    47    48    49    52    53    54    55    50    51    45    46  
   47    48    49    52    50    51    45  
   46    47    50  
    0  
   48    49    52    53    54    55    56    50    51  
   49    52    53    54    55    50  
   52    53    54    55    50  
   51    52  
    0  
   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  -0.335000   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.165000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   317.000  1.522
   39    43   268.000  1.529
   39    45   320.000  1.410
   40    41   656.000  1.250
   40    42   656.000  1.250
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    50   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   320.000  1.410
   55    56   553.000  0.945
   50    51   553.000  0.945
   45    46   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    70.00000  109.69300
   33    39    43    58.35000  112.70000
   33    39    45    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    70.00000  117.00000
   39    40    42    70.00000  117.00000
   39    43    44    37.50000  110.70000
   39    43    47    58.35000  112.70000
   39    43    50    50.00000  109.50000
   39    45    46    55.00000  108.50000
   42    40    41    80.00000  126.00000
   43    39    40    70.00000  109.69300
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    52    58.35000  112.70000
   43    50    51    55.00000  108.50000
   47    43    44    37.50000  110.70000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    55    50.00000  109.50000
   49    47    48    33.00000  107.80000
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    55    56    55.00000  108.50000
   54    52    53    33.00000  107.80000
   55    52    53    35.00000  109.50000
   55    52    54    35.00000  109.50000
   50    43    44    35.00000  109.50000
   50    43    47    50.00000  109.50000
   45    39    40    95.00000  109.52300
   45    39    43    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   33    39    40    41   0.41150 -1.0 2.0
   33    39    40    42   0.41150 -1.0 2.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    47   0.56750  1.0 1.0
   33    39    43    47  -0.07550 -1.0 2.0
   33    39    43    47   0.20000  1.0 3.0
   33    39    43    50   0.86500  1.0 1.0
   33    39    43    50  -0.17500 -1.0 2.0
   33    39    43    50   0.20800  1.0 3.0
   33    39    45    46  -0.11600  1.0 1.0
   33    39    45    46  -0.09450 -1.0 2.0
   33    39    45    46   0.21250  1.0 3.0
   34    33    39    40  -0.11250  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   34    33    39    45   0.23400  1.0 3.0
   35    33    39    40  -0.11250  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   35    33    39    45   0.23400  1.0 3.0
   39    43    47    48   0.15000  1.0 3.0
   39    43    47    49   0.15000  1.0 3.0
   39    43    47    52   0.56750  1.0 1.0
   39    43    47    52  -0.07550 -1.0 2.0
   39    43    47    52   0.20000  1.0 3.0
   39    43    50    51  -0.11600  1.0 1.0
   39    43    50    51  -0.09450 -1.0 2.0
   39    43    50    51   0.21250  1.0 3.0
   40    39    43    44  -0.11250  1.0 3.0
   40    39    43    47  -1.63150  1.0 1.0
   40    39    43    47  -0.43550 -1.0 2.0
   40    39    43    47   0.24500  1.0 3.0
   40    39    43    50  -5.33000  1.0 1.0
   40    39    43    50  -0.54250 -1.0 2.0
   40    39    43    50  -0.07300  1.0 3.0
   40    39    45    46   0.91850  1.0 1.0
   40    39    45    46   0.57950  1.0 3.0
   43    39    40    41   0.41150 -1.0 2.0
   43    39    40    42   0.41150 -1.0 2.0
   43    39    45    46  -0.11600  1.0 1.0
   43    39    45    46  -0.09450 -1.0 2.0
   43    39    45    46   0.21250  1.0 3.0
   43    47    52    53   0.15000  1.0 3.0
   43    47    52    54   0.15000  1.0 3.0
   43    47    52    55   0.86500  1.0 1.0
   43    47    52    55  -0.17500 -1.0 2.0
   43    47    52    55   0.20800  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    52   0.15000  1.0 3.0
   44    43    50    51   0.19450  1.0 3.0
   47    43    50    51  -0.11600  1.0 1.0
   47    43    50    51  -0.09450 -1.0 2.0
   47    43    50    51   0.21250  1.0 3.0
   47    52    55    56  -0.11600  1.0 1.0
   47    52    55    56  -0.09450 -1.0 2.0
   47    52    55    56   0.21250  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    54   0.15000  1.0 3.0
   48    47    52    55   0.23400  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    54   0.15000  1.0 3.0
   49    47    52    55   0.23400  1.0 3.0
   53    52    55    56   0.19450  1.0 3.0
   54    52    55    56   0.19450  1.0 3.0
   50    43    47    48   0.23400  1.0 3.0
   50    43    47    49   0.23400  1.0 3.0
   50    43    47    52   0.86500  1.0 1.0
   50    43    47    52  -0.17500 -1.0 2.0
   50    43    47    52   0.20800  1.0 3.0
   45    39    40    41   0.30150 -1.0 2.0
   45    39    40    42   0.30150 -1.0 2.0
   45    39    43    44   0.23400  1.0 3.0
   45    39    43    47   0.86500  1.0 1.0
   45    39    43    47  -0.17500 -1.0 2.0
   45    39    43    47   0.20800  1.0 3.0
   45    39    43    50   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
   37    30    36    38  10.50000 -1.0 2.0
   41    39    40    42  10.50000 -1.0 2.0
END
