* LIGAND DATABASE FILE (OPLS2005)
*
001      57    59    110    185     327
    1     0 S   NP   _N1_     1    28.97888    94.87639   -21.36441
    2     1 S   H    _HN1     2     1.02952    85.70435    34.33372
    3     1 S   H    _H1_     3     1.02826    32.54734   165.82555
    4     1 S   H    _H2_     4     1.02772    92.53534   -73.94540
    5     1 S   CT   _CA1     5     1.50158   142.72079   152.83426
    6     5 S   HC   _HA1     6     1.09567   105.16703    66.61061
    7     5 S   CO3  _C1_     7     1.53830   112.47554   -53.51985
    8     7 S   O2Z  _O11     8     1.26380   114.97189   -38.14384
    9     7 S   O2Z  _O12     9     1.26235   114.99930   140.92507
   10     5 S   CT   _CB1    10     1.53097   107.40041  -175.33452
   11    10 S   HC   HB11    11     1.09823   109.41151   -48.12783
   12    10 S   HC   HB12    12     1.09809   110.40335    68.48246
   13    10 S   CT   _CG1    13     1.52961   112.65286  -169.09734
   14    13 S   HC   HG11    14     1.09503   110.61867   -63.46509
   15    13 S   HC   HG12    15     1.09670   109.88949    55.58366
   16    13 S   C    _CD1    16     1.51822   112.38012   175.67795
   17    16 S   O    _OE1    17     1.22711   123.35601    -3.14429
   18    16 S   N    _N2_    18     1.38557   111.53636   177.50150
   19    18 S   H    _HN2    19     1.01625   118.84291    -0.55638
   20    18 S   CT1  _CA2    20     1.46194   123.62261   177.29680
   21    20 S   HC   _HA2    21     1.09739   109.39734   -11.12635
   22    20 S   C    _C2_    22     1.53445   108.04161  -126.42512
   23    22 S   O    _O2_    23     1.23018   122.46792  -147.11138
   24    20 S   CT   _CB2    32     1.53343   111.41601   111.33599
   25    24 S   HC   HB21    33     1.09220   109.61103    53.63213
   26    24 S   HC   HB22    34     1.09529   110.36017   171.55717
   27    22 S   N    _N3_    24     1.38398   113.40380    40.41554
   28    27 S   H    _HN3    25     1.01646   119.50121    -3.68440
   29    24 S   S    _SG2    35     1.82963   111.25871   -70.31435
   30    27 S   CT   _CA3    26     1.45285   123.11227   176.95773
   31    30 S   HC   HA31    27     1.09552   107.55470   -63.07544
   32    30 S   HC   HA32    28     1.09558   107.91015    53.32350
   33    29 S   CT   _C13    36     1.87661   102.88757   142.20134
   34    33 S   Cl   Cl1_    37     1.80297   108.13155    48.10159
   35    30 S   CO3  _C3_    29     1.52931   114.14510   175.28752
   36    35 S   O2Z  _O31    30     1.26364   116.06111    -0.60781
   37    35 S   O2Z  _O32    31     1.26432   114.41145   179.43386
   38    33 S   CT   _C9_    38     1.57426   116.99873   -83.38599
   39    38 S   Cl   Cl5_    39     1.75197   116.77333    62.99954
   40    38 S   CM   _C10    40     1.51857    99.29509   -62.65514
   41    40 S   Cl   Cl4_    41     1.69248   124.72131   145.67161
   42    40 S   CM   _C11    42     1.33803   107.39029   -36.62306
   43    42 S   Cl   Cl3_    43     1.69347   127.90613  -178.74259
   44    33 S   CT   _C12    44     1.58165   112.83998   173.42726
   45    44 S   Cl   Cl2_    45     1.75590   115.75898   -58.75195
   46    44 S   CT   _C7_    46     1.56926   102.35141   178.03417
   47    46 S   HC   _H4_    47     1.09836   110.23009    78.06418
   48    38 S   CT   _C8_    48     1.56769   102.34086  -173.36803
   49    48 S   HC   _H5_    49     1.09705   111.79644   -81.59578
   50    48 S   CM   _C4_    50     1.49518   118.11287   150.29712
   51    50 S   HC   _H6_    51     1.08114   123.65593    65.94118
   52    50 S   CM   _C5_    52     1.33687   112.19492  -114.54244
   53    52 S   HC   _H7_    53     1.08129   123.62664  -179.70525
   54    46 S   CT   _C6_    54     1.53727   118.05971  -154.58446
   55    54 S   HC   _H3_    55     1.09245   113.33483   -10.36396
   56    54 S   OH   _O33    56     1.42168   109.47357  -131.30445
   57    56 S   HO   _H8_    57     0.97255   107.58255  -176.90535
  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
  15   8   2   1   1  15   8   9   4   7   3  10   4  11   7   8
   4   6   3   5   3   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    44    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    44    45    46    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46    47    48    49    50    54  
   38    39    40    42    44    45    46    48  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    47    48    49    50    51    52    54  
   40    41    42    44    46    48    49    50  
   41    42    43    44    45    46    48    49    50  
   42    43    44    48  
   43    44    45    46    47    48    54  
   44    45    46  
   45    46    47    48    49    50    52    54    55    56  
   46    47    48    54  
   47    48    49    50    51    52    53    54    55    56    57  
   48    49    50    52    54    55    56  
   49    50    51    52    53    54    55    56  
   50    51    52    54  
   51    52    53    54    55    56  
   52    53    54  
   53    54    55    56    57  
   54    55    56  
   55    56    57  
   56    57  
   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  -0.175000   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   0.207500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   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   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   40   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   42   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   44   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   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   245.000  1.781
   33    38   268.000  1.529
   33    44   268.000  1.529
   38    39   245.000  1.781
   38    40   317.000  1.510
   38    48   268.000  1.529
   40    41   300.000  1.725
   40    42   549.000  1.340
   42    43   300.000  1.725
   42    44   317.000  1.510
   44    45   245.000  1.781
   44    46   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    54   268.000  1.529
   48    49   340.000  1.090
   48    50   317.000  1.510
   50    51   340.000  1.080
   50    52   549.000  1.340
   52    53   340.000  1.080
   52    54   317.000  1.510
   54    55   340.000  1.090
   54    56   320.000  1.410
   56    57   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    85.00000  110.65400
   29    33    38    75.00000  111.63000
   29    33    44    75.00000  111.63000
   33    38    39    69.00000  109.80000
   33    38    40    70.00000  112.02700
   33    38    48    58.35000  112.70000
   33    44    42    70.00000  112.02700
   33    44    45    69.00000  109.80000
   33    44    46    58.35000  112.70000
   38    33    34    69.00000  109.80000
   38    40    41    75.00000  111.02000
   38    40    42    70.00000  124.00000
   38    48    46    58.35000  112.70000
   38    48    49    37.50000  110.70000
   38    48    50    70.00000  112.02700
   40    38    39    75.00000  111.90500
   40    42    43    75.00000  121.50000
   40    42    44    70.00000  124.00000
   42    40    41    75.00000  121.50000
   42    44    45    75.00000  111.90500
   42    44    46    70.00000  112.02700
   44    33    34    69.00000  109.80000
   44    33    38    58.35000  112.70000
   44    42    43    75.00000  111.02000
   44    46    47    37.50000  110.70000
   44    46    48    58.35000  112.70000
   44    46    54    58.35000  112.70000
   46    44    45    69.00000  109.80000
   46    48    49    37.50000  110.70000
   46    48    50    70.00000  112.02700
   46    54    52    70.00000  112.02700
   46    54    55    37.50000  110.70000
   46    54    56    50.00000  109.50000
   48    38    39    69.00000  109.80000
   48    38    40    70.00000  112.02700
   48    46    47    37.50000  110.70000
   48    50    51    35.00000  117.00000
   48    50    52    70.00000  124.00000
   50    48    49    35.00000  109.50000
   50    52    53    35.00000  120.00000
   50    52    54    70.00000  124.00000
   52    50    51    35.00000  120.00000
   52    54    55    35.00000  109.50000
   52    54    56    90.00000  110.39200
   54    46    47    37.50000  110.70000
   54    46    48    58.35000  112.70000
   54    52    53    35.00000  117.00000
   54    56    57    55.00000  108.50000
   56    54    55    35.00000  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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  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    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    48   0.44750  1.0 1.0
   29    33    38    48  -0.17800 -1.0 2.0
   29    33    38    48   0.20200  1.0 3.0
   29    33    44    42   0.56750  1.0 1.0
   29    33    44    42  -0.07550 -1.0 2.0
   29    33    44    42   0.20000  1.0 3.0
   29    33    44    45   0.56750  1.0 1.0
   29    33    44    45  -0.07550 -1.0 2.0
   29    33    44    45   0.20000  1.0 3.0
   29    33    44    46   0.44750  1.0 1.0
   29    33    44    46  -0.17800 -1.0 2.0
   29    33    44    46   0.20200  1.0 3.0
   33    38    40    41   0.09700  1.0 1.0
   33    38    40    41   0.15600 -1.0 2.0
   33    38    40    41  -0.50800  1.0 3.0
   33    38   -40    42   0.09850  1.0 1.0
   33    38   -40    42   0.15250 -1.0 2.0
   33    38   -40    42  -0.50650  1.0 3.0
   33    38   -48    46   0.56750  1.0 1.0
   33    38   -48    46  -0.07550 -1.0 2.0
   33    38   -48    46   0.20000  1.0 3.0
   33    38    48    49   0.15000  1.0 3.0
   33    38    48    50   0.34400  1.0 1.0
   33    38    48    50   0.09450 -1.0 2.0
   33    38    48    50   0.11100  1.0 3.0
   33    44    46    47   0.15000  1.0 3.0
   33    44   -46    48   0.56750  1.0 1.0
   33    44   -46    48  -0.07550 -1.0 2.0
   33    44   -46    48   0.20000  1.0 3.0
   33    44    46    54   0.56750  1.0 1.0
   33    44    46    54  -0.07550 -1.0 2.0
   33    44    46    54   0.20000  1.0 3.0
   34    33    38    39   0.22500  1.0 1.0
   34    33    38    40   0.56750  1.0 1.0
   34    33    38    40  -0.07550 -1.0 2.0
   34    33    38    40   0.20000  1.0 3.0
   34    33    38    48   0.35600  1.0 1.0
   34    33    38    48  -0.14650 -1.0 2.0
   34    33    38    48   0.33350  1.0 3.0
   34    33    44    42   0.56750  1.0 1.0
   34    33    44    42  -0.07550 -1.0 2.0
   34    33    44    42   0.20000  1.0 3.0
   34    33    44    45   0.22500  1.0 1.0
   34    33    44    46   0.35600  1.0 1.0
   34    33    44    46  -0.14650 -1.0 2.0
   34    33    44    46   0.33350  1.0 3.0
   38    33   -44    42   0.34400  1.0 1.0
   38    33   -44    42   0.09450 -1.0 2.0
   38    33   -44    42   0.11100  1.0 3.0
   38    33    44    45   0.35600  1.0 1.0
   38    33    44    45  -0.14650 -1.0 2.0
   38    33    44    45   0.33350  1.0 3.0
   38    33   -44    46   0.56750  1.0 1.0
   38    33   -44    46  -0.07550 -1.0 2.0
   38    33   -44    46   0.20000  1.0 3.0
   38    40    42    43   7.00000 -1.0 2.0
   38    40   -42    44   7.00000 -1.0 2.0
   38    48    50    51   0.00000  1.0 1.0
   38    48    50    52   0.09850  1.0 1.0
   38    48    50    52   0.15250 -1.0 2.0
   38    48    50    52  -0.50650  1.0 3.0
   39    38    40    41   0.09700  1.0 1.0
   39    38    40    41   0.15600 -1.0 2.0
   39    38    40    41  -0.50800  1.0 3.0
   39    38    40    42   0.09700  1.0 1.0
   39    38    40    42   0.15600 -1.0 2.0
   39    38    40    42  -0.50800  1.0 3.0
   39    38    48    46   0.35600  1.0 1.0
   39    38    48    46  -0.14650 -1.0 2.0
   39    38    48    46   0.33350  1.0 3.0
   39    38    48    49   0.27000  1.0 3.0
   39    38    48    50   0.56750  1.0 1.0
   39    38    48    50  -0.07550 -1.0 2.0
   39    38    48    50   0.20000  1.0 3.0
   40    38    48    46   0.34400  1.0 1.0
   40    38    48    46   0.09450 -1.0 2.0
   40    38    48    46   0.11100  1.0 3.0
   40    38    48    49   0.15000  1.0 3.0
   40    38    48    50   0.31000  1.0 1.0
   40    38    48    50   0.14700 -1.0 2.0
   40    38    48    50   0.07550  1.0 3.0
   40    42   -44    33   0.09850  1.0 1.0
   40    42   -44    33   0.15250 -1.0 2.0
   40    42   -44    33  -0.50650  1.0 3.0
   40    42    44    45   0.09700  1.0 1.0
   40    42    44    45   0.15600 -1.0 2.0
   40    42    44    45  -0.50800  1.0 3.0
   40    42   -44    46   0.09850  1.0 1.0
   40    42   -44    46   0.15250 -1.0 2.0
   40    42   -44    46  -0.50650  1.0 3.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    44    46    47   0.15000  1.0 3.0
   42    44    46    48   0.34400  1.0 1.0
   42    44    46    48   0.09450 -1.0 2.0
   42    44    46    48   0.11100  1.0 3.0
   42    44    46    54   0.34400  1.0 1.0
   42    44    46    54   0.09450 -1.0 2.0
   42    44    46    54   0.11100  1.0 3.0
   43    42    44    33   0.09700  1.0 1.0
   43    42    44    33   0.15600 -1.0 2.0
   43    42    44    33  -0.50800  1.0 3.0
   43    42    44    45   0.09700  1.0 1.0
   43    42    44    45   0.15600 -1.0 2.0
   43    42    44    45  -0.50800  1.0 3.0
   43    42    44    46   0.09700  1.0 1.0
   43    42    44    46   0.15600 -1.0 2.0
   43    42    44    46  -0.50800  1.0 3.0
   44    33    38    39   0.35600  1.0 1.0
   44    33    38    39  -0.14650 -1.0 2.0
   44    33    38    39   0.33350  1.0 3.0
   44    33   -38    40   0.34400  1.0 1.0
   44    33   -38    40   0.09450 -1.0 2.0
   44    33   -38    40   0.11100  1.0 3.0
   44    33   -38    48   0.56750  1.0 1.0
   44    33   -38    48  -0.07550 -1.0 2.0
   44    33   -38    48   0.20000  1.0 3.0
   44    46   -48    38   0.56750  1.0 1.0
   44    46   -48    38  -0.07550 -1.0 2.0
   44    46   -48    38   0.20000  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    50   0.34400  1.0 1.0
   44    46    48    50   0.09450 -1.0 2.0
   44    46    48    50   0.11100  1.0 3.0
   44    46    54    52   0.34400  1.0 1.0
   44    46    54    52   0.09450 -1.0 2.0
   44    46    54    52   0.11100  1.0 3.0
   44    46    54    55   0.15000  1.0 3.0
   44    46    54    56   0.86500  1.0 1.0
   44    46    54    56  -0.17500 -1.0 2.0
   44    46    54    56   0.20800  1.0 3.0
   45    44    46    47   0.27000  1.0 3.0
   45    44    46    48   0.35600  1.0 1.0
   45    44    46    48  -0.14650 -1.0 2.0
   45    44    46    48   0.33350  1.0 3.0
   45    44    46    54   0.35600  1.0 1.0
   45    44    46    54  -0.14650 -1.0 2.0
   45    44    46    54   0.33350  1.0 3.0
   46    48    50    51   0.00000  1.0 1.0
   46    48   -50    52   0.09850  1.0 1.0
   46    48   -50    52   0.15250 -1.0 2.0
   46    48   -50    52  -0.50650  1.0 3.0
   46    54    56    57  -0.11600  1.0 1.0
   46    54    56    57  -0.09450 -1.0 2.0
   46    54    56    57   0.21250  1.0 3.0
   47    46    48    38   0.15000  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    54    52   0.15000  1.0 3.0
   47    46    54    55   0.15000  1.0 3.0
   47    46    54    56   0.23400  1.0 3.0
   48    38    40    41   0.09700  1.0 1.0
   48    38    40    41   0.15600 -1.0 2.0
   48    38    40    41  -0.50800  1.0 3.0
   48    38   -40    42   0.09850  1.0 1.0
   48    38   -40    42   0.15250 -1.0 2.0
   48    38   -40    42  -0.50650  1.0 3.0
   48    46   -54    52   0.34400  1.0 1.0
   48    46   -54    52   0.09450 -1.0 2.0
   48    46   -54    52   0.11100  1.0 3.0
   48    46    54    55   0.15000  1.0 3.0
   48    46    54    56   0.86500  1.0 1.0
   48    46    54    56  -0.17500 -1.0 2.0
   48    46    54    56   0.20800  1.0 3.0
   48    50    52    53   7.00000 -1.0 2.0
   48    50   -52    54   7.00000 -1.0 2.0
   49    48    50    51   0.33100  1.0 3.0
   49    48    50    52   0.00000  1.0 1.0
   50    52   -54    46   0.09850  1.0 1.0
   50    52   -54    46   0.15250 -1.0 2.0
   50    52   -54    46  -0.50650  1.0 3.0
   50    52    54    55   0.00000  1.0 1.0
   50    52    54    56   0.67800  1.0 1.0
   50    52    54    56   0.47050 -1.0 2.0
   50    52    54    56  -0.62500  1.0 3.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    54   7.00000 -1.0 2.0
   52    54    56    57  -0.07800  1.0 1.0
   52    54    56    57  -0.21500 -1.0 2.0
   52    54    56    57  -0.03150  1.0 3.0
   53    52    54    46   0.00000  1.0 1.0
   53    52    54    55   0.33100  1.0 3.0
   53    52    54    56   0.00000  1.0 1.0
   54    46    48    38   0.56750  1.0 1.0
   54    46    48    38  -0.07550 -1.0 2.0
   54    46    48    38   0.20000  1.0 3.0
   54    46    48    49   0.15000  1.0 3.0
   54    46   -48    50   0.34400  1.0 1.0
   54    46   -48    50   0.09450 -1.0 2.0
   54    46   -48    50   0.11100  1.0 3.0
   55    54    56    57   0.19450  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
   38    41    40    42   1.10000 -1.0 2.0
   44    43    42    40   1.10000 -1.0 2.0
   48    51    50    52   1.10000 -1.0 2.0
   54    53    52    50   1.10000 -1.0 2.0
END
