* LIGAND DATABASE FILE (OPLS2005)
*
001      67    66    117    167     341
    1     0 S   NP   _N1_     1    28.78437    96.85554   -22.01161
    2     1 S   H    _HN1     2     1.02945    69.88071    -4.35060
    3     1 S   H    _H1_     3     1.02834    40.72451   150.45970
    4     1 S   H    _H2_     4     1.02807   104.50880  -108.91251
    5     1 S   CT   _CA1     5     1.50076   140.33388    93.84301
    6     5 S   HC   _HA1     6     1.09563   105.24600    94.81688
    7     5 S   CO3  _C1_     7     1.53865   112.48266   -25.62042
    8     7 S   O2Z  _O11     8     1.26385   115.06815   -43.17811
    9     7 S   O2Z  _O12     9     1.26225   114.94478   136.13062
   10     5 S   CT   _CB1    10     1.53065   107.45027  -147.05149
   11    10 S   HC   HB11    11     1.09844   109.73030   -48.55686
   12    10 S   HC   HB12    12     1.09713   110.23438    67.84749
   13    10 S   CT   _CG1    13     1.53018   112.54112  -169.25420
   14    13 S   HC   HG11    14     1.09515   111.04985   -61.16255
   15    13 S   HC   HG12    15     1.09635   109.47019    57.91797
   16    13 S   C    _CD1    16     1.51727   111.74446   179.26885
   17    16 S   O    _OE1    17     1.22769   122.84306    23.88632
   18    16 S   N    _N2_    18     1.38473   112.20411  -157.50271
   19    18 S   H    _HN2    19     1.01571   118.98674     2.50835
   20    18 S   CT1  _CA2    20     1.46341   123.56294   177.95321
   21    20 S   HC   _HA2    21     1.09681   109.21736     6.01617
   22    20 S   C    _C2_    22     1.53535   108.72393  -109.33179
   23    22 S   O    _O2_    23     1.23043   122.26821  -148.12396
   24    20 S   CT   _CB2    32     1.53286   111.17288   128.22181
   25    24 S   HC   HB21    33     1.09629   109.90292    54.51812
   26    24 S   HC   HB22    34     1.09527   111.75820   172.87718
   27    22 S   N    _N3_    24     1.38303   113.67339    39.41106
   28    27 S   H    _HN3    25     1.01549   119.60702    -3.19635
   29    24 S   S    _SG2    35     1.82629   112.09143   -64.71757
   30    27 S   CT   _CA3    26     1.45272   123.40456   177.25705
   31    30 S   HC   HA31    27     1.09543   107.51566   -65.16847
   32    30 S   HC   HA32    28     1.09550   108.02786    51.33862
   33    29 S   CT   _C12    36     1.82941    99.52558   -85.86311
   34    33 S   HC   _H16    37     1.09483   107.26631   -79.56886
   35    33 S   HC   _H17    38     1.09452   108.55207    37.24827
   36    30 S   CO3  _C3_    29     1.53005   113.91366   173.32659
   37    36 S   O2Z  _O31    30     1.26405   116.04022    -0.59446
   38    36 S   O2Z  _O32    31     1.26412   114.43639   179.46551
   39    33 S   CT   _C10    39     1.53534   113.91743   159.05046
   40    39 S   HC   _H5_    40     1.09742   108.58461   170.65927
   41    39 S   CT   _C11    41     1.52905   114.77397    49.76746
   42    41 S   HC   _H13    42     1.09433   111.88427   -75.12367
   43    41 S   HC   _H14    43     1.09425   111.11689    48.22642
   44    39 S   OS   _O35    46     1.44932   108.53261   -70.80563
   45    41 S   OH   _O36    44     1.42619   108.71440   166.75641
   46    45 S   HO   _H15    45     0.97245   107.03712   177.77367
   47    44 S   CO4  _C9_    47     1.36267   118.07212   -93.79773
   48    47 S   O    _O34    48     1.22659   125.12158    -1.93624
   49    47 S   CT1  _C7_    49     1.52629   112.13091  -179.78786
   50    49 S   HC   _H4_    50     1.09587   106.79777   106.74104
   51    49 S   CT   _C8_    51     1.52277   110.27371  -133.96868
   52    51 S   HC   _H10    52     1.09567   111.29345    58.79181
   53    51 S   HC   _H11    53     1.09525   110.93115   178.85431
   54    51 S   HC   _H12    54     1.09519   111.06860   -60.91686
   55    49 S   N    _N4_    55     1.45713   111.49250   -11.37757
   56    55 S   H    _H9_    56     1.01730   117.21428   -78.03184
   57    55 S   C    _C6_    57     1.38828   123.31252    94.87569
   58    57 S   O    _O33    58     1.22880   124.38481     2.74367
   59    57 S   CT1  _C5_    59     1.52646   112.03253  -176.84402
   60    59 S   HC   _H3_    60     1.09456   108.80638   -40.68135
   61    59 S   CT   _C4_    61     1.52297   110.31271    79.79419
   62    61 S   HC   _H6_    62     1.09616   111.45983    58.84141
   63    61 S   HC   _H7_    63     1.09541   111.14666   179.68847
   64    61 S   HC   _H8_    64     1.09470   110.93545   -60.51939
   65    59 S   NT   _N5_    65     1.46231   109.19000  -159.02456
   66    65 S   H    _H18    66     1.02040   109.16628   175.98922
   67    65 S   H    _H19    67     1.01943   109.45718    60.46616
  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
  10   5   4   2   1   1  10   6   6   4   3   7   1   1  10   4
  10   7   6   3   2   1   7   3  10   4   8   7   6   3   2   1
   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    41    44  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    44    47  
   35    39    40    41    44  
   39    40    41    44  
   37    38  
   38  
    0  
   40    41    42    43    45    46    44    47    48    49  
   41    42    43    45    44    47  
   42    43    45    46    44    47  
   43    45    46    44  
   45    46    44  
   47    48    49    50    51    55    45  
   46  
    0  
   48    49    50    51    52    53    54    55    56    57  
   49    50    51    55  
   50    51    52    53    54    55    56    57    58    59  
   51    52    53    54    55    56    57  
   52    53    54    55    56    57  
   53    54    55  
   54    55  
   55  
   56    57    58    59    60    61    65  
   57    58    59  
   58    59    60    61    62    63    64    65    66    67  
   59    60    61    65  
   60    61    62    63    64    65    66    67  
   61    62    63    64    65    66    67  
   62    63    64    65    66    67  
   63    64    65  
   64    65  
   65  
   66    67  
   67  
    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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   56   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   57   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   59   3.5000   0.0660   0.163900   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   66   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   67   0.5000   0.0300   0.360000   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   340.000  1.090
   39    41   268.000  1.529
   39    44   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    45   320.000  1.410
   45    46   553.000  0.945
   44    47   214.000  1.327
   47    48   570.000  1.229
   47    49   255.000  1.522
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    55   337.000  1.449
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   55    56   434.000  1.010
   55    57   490.000  1.335
   57    58   570.000  1.229
   57    59   317.000  1.522
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    65   305.000  1.457
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   434.000  1.010
   65    67   434.000  1.010
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    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    44    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    41    42    37.50000  110.70000
   39    41    43    37.50000  110.70000
   39    41    45    50.00000  109.50000
   39    44    47    83.00000  116.90000
   41    39    40    37.50000  110.70000
   41    45    46    55.00000  108.50000
   43    41    42    33.00000  107.80000
   45    41    42    35.00000  109.50000
   45    41    43    35.00000  109.50000
   44    39    40    35.00000  109.50000
   44    39    41    50.00000  109.50000
   44    47    48    83.00000  123.40000
   44    47    49    90.00000  109.72300
   47    49    50    45.00000  110.09800
   47    49    51    70.00000  110.61500
   47    49    55    80.00000  110.29000
   49    47    48    75.00000  123.42600
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    54    37.50000  110.70000
   49    55    56    38.00000  118.40000
   49    55    57    50.00000  121.90000
   51    49    50    37.50000  110.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   55    49    50    35.00000  109.50000
   55    49    51    80.00000  109.70000
   55    57    58    80.00000  122.90000
   55    57    59    70.00000  116.60000
   57    55    56    35.00000  119.80000
   57    59    60    35.00000  109.50000
   57    59    61    63.00000  111.10000
   57    59    65    75.00000  111.54000
   59    57    58    80.00000  120.40000
   59    61    62    37.50000  110.70000
   59    61    63    37.50000  110.70000
   59    61    64    37.50000  110.70000
   59    65    66    50.00000  111.55300
   59    65    67    50.00000  111.55300
   61    59    60    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    59    60    50.00000  109.55000
   65    59    61    80.00000  111.22000
   67    65    66    43.60000  106.40000
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   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.15000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    44    47  -0.25900  1.0 1.0
   33    39    44    47  -0.47000 -1.0 2.0
   33    39    44    47   0.11750  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    44   0.23400  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   39    44    47    48   3.00000 -1.0 2.0
   39    44    47    49   1.63150  1.0 1.0
   39    44    47    49   2.92000 -1.0 2.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    44    47   0.08050  1.0 3.0
   41    39    44    47  -0.25900  1.0 1.0
   41    39    44    47  -0.47000 -1.0 2.0
   41    39    44    47   0.11750  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46   0.19450  1.0 3.0
   44    39    41    42   0.23400  1.0 3.0
   44    39    41    43   0.23400  1.0 3.0
   44    39    41    45   3.69350  1.0 1.0
   44    39    41    45  -1.82950 -1.0 2.0
   44    47    49    50   0.00000  1.0 1.0
   44    47    49    51   0.36750  1.0 3.0
   44    47    49    55   0.40000  1.0 3.0
   47    49    51    52  -0.03800  1.0 3.0
   47    49    51    53  -0.03800  1.0 3.0
   47    49    51    54  -0.03800  1.0 3.0
   47    49    55    56   0.00000  1.0 1.0
   47    49    55    57  -0.29800  1.0 1.0
   47    49    55    57   0.13950 -1.0 2.0
   47    49    55    57  -2.45650  1.0 3.0
   48    47    49    50   0.00000  1.0 1.0
   48    47    49    51   0.00000  1.0 1.0
   48    47    49    55   0.00000  1.0 1.0
   49    55    57    58   3.04450 -1.0 2.0
   49    55    57    59   1.15000  1.0 1.0
   49    55    57    59   3.04450 -1.0 2.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    54   0.15000  1.0 3.0
   50    49    55    56   0.00000  1.0 1.0
   50    49    55    57   0.00000  1.0 1.0
   51    49    55    56   0.00000  1.0 1.0
   51    49    55    57   0.25950  1.0 1.0
   51    49    55    57   0.43850 -1.0 2.0
   51    49    55    57   2.61650  1.0 3.0
   55    49    51    52   0.23200  1.0 3.0
   55    49    51    53   0.23200  1.0 3.0
   55    49    51    54   0.23200  1.0 3.0
   55    57    59    60   0.00000  1.0 1.0
   55    57    59    61   0.93250  1.0 1.0
   55    57    59    61   0.04450 -1.0 2.0
   55    57    59    61   0.17550  1.0 3.0
   55    57    59    65   0.00000  1.0 1.0
   56    55    57    58   2.45000 -1.0 2.0
   56    55    57    59   2.45000 -1.0 2.0
   57    59    61    62  -0.03800  1.0 3.0
   57    59    61    63  -0.03800  1.0 3.0
   57    59    61    64  -0.03800  1.0 3.0
   57    59    65    66   0.21900  1.0 1.0
   57    59    65    66  -0.24900 -1.0 2.0
   57    59    65    66   0.15200  1.0 3.0
   57    59    65    67   0.21900  1.0 1.0
   57    59    65    67  -0.24900 -1.0 2.0
   57    59    65    67   0.15200  1.0 3.0
   58    57    59    60   0.00000  1.0 1.0
   58    57    59    61   0.00000  1.0 1.0
   58    57    59    65   0.30150 -1.0 2.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59    61    64   0.15000  1.0 3.0
   60    59    65    66   0.20000  1.0 3.0
   60    59    65    67   0.20000  1.0 3.0
   61    59    65    66  -0.05950  1.0 1.0
   61    59    65    66   0.08850 -1.0 2.0
   61    59    65    66   0.11750  1.0 3.0
   61    59    65    67  -0.05950  1.0 1.0
   61    59    65    67   0.08850 -1.0 2.0
   61    59    65    67   0.11750  1.0 3.0
   65    59    61    62   0.15000  1.0 3.0
   65    59    61    63   0.15000  1.0 3.0
   65    59    61    64   0.15000  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
   37    30    36    38  10.50000 -1.0 2.0
   44    49    47    48  10.50000 -1.0 2.0
   56    57    55    49   1.00000 -1.0 2.0
   55    59    57    58  10.50000 -1.0 2.0
END
