* LIGAND DATABASE FILE (OPLS2005)
*
001      76    76    138    212     412
    1     0 S   NP   _N1_     1    28.74209    95.02572   -20.75609
    2     1 S   H    _HN1     2     1.02959    89.15559    28.90433
    3     1 S   H    _H1_     3     1.02838    34.47620   151.55089
    4     1 S   H    _H2_     4     1.02779    86.65268   -79.50013
    5     1 S   CT   _CA1     5     1.50102   145.18858   155.05967
    6     5 S   HC   _HA1     6     1.09573   105.26004    57.04954
    7     5 S   CO3  _C1_     7     1.53803   112.35807   -63.22386
    8     7 S   O2Z  _O11     8     1.26359   115.01367   -44.91948
    9     7 S   O2Z  _O12     9     1.26237   114.91960   134.32150
   10     5 S   CT   _CB1    10     1.53100   107.44289   174.98456
   11    10 S   HC   HB11    11     1.09823   109.40308   -50.75204
   12    10 S   HC   HB12    12     1.09822   110.39067    65.81307
   13    10 S   CT   _CG1    13     1.53005   112.64151  -171.85452
   14    13 S   HC   HG11    14     1.09601   110.40807   -62.32120
   15    13 S   HC   HG12    15     1.09643   110.04000    56.90593
   16    13 S   C    _CD1    16     1.51799   112.30113   177.30616
   17    16 S   O    _OE1    17     1.22721   123.26335    -4.20636
   18    16 S   N    _N2_    18     1.38629   111.61241   175.89106
   19    18 S   H    _HN2    19     1.01585   119.03421     1.59287
   20    18 S   CT1  _CA2    20     1.46243   123.39555  -178.54478
   21    20 S   HC   _HA2    21     1.09739   109.38481   -10.43881
   22    20 S   C    _C2_    22     1.53449   108.38861  -126.09991
   23    22 S   O    _O2_    23     1.23016   122.22013  -146.09644
   24    20 S   CT   _CB2    32     1.53698   111.46015   111.57046
   25    24 S   HC   HB21    33     1.09444   108.93971    55.43302
   26    24 S   HC   HB22    34     1.09287   109.74631   174.36066
   27    22 S   N    _N3_    24     1.38498   113.39750    41.27572
   28    27 S   H    _HN3    25     1.01522   118.91748    -0.68984
   29    24 S   S    _SG2    35     1.82903   111.09213   -64.91730
   30    27 S   CT   _CA3    26     1.45458   123.51867   175.11930
   31    30 S   HC   HA31    27     1.09517   109.32804    22.58119
   32    30 S   HC   HA32    28     1.09498   107.09770   139.60253
   33    29 S   CT   _C11    36     1.87619   103.67198  -175.22935
   34    30 S   CO3  _C3_    29     1.52921   113.05865  -100.95858
   35    34 S   O2Z  _O31    30     1.26406   115.38485   -44.70474
   36    34 S   O2Z  _O32    31     1.26352   114.99483   136.21720
   37    33 S   CT   _C12    37     1.54758   111.74315   -45.93369
   38    37 S   HC   _H11    38     1.09952   109.72145   168.42808
   39    37 S   HC   _H12    39     1.09594   112.05359    55.15477
   40    33 S   CT   _C18    73     1.54998   105.76290    71.26874
   41    40 S   HC   _H22    74     1.09570   112.17812    57.67333
   42    40 S   HC   _H23    75     1.09492   112.15770   -63.75381
   43    40 S   HC   _H24    76     1.09589   111.44742   177.88780
   44    37 S   CT   _C13    40     1.52555   113.78016   -70.22074
   45    44 S   HC   _H3_    41     1.09419   110.62339    65.59723
   46    44 S   CT   _C14    42     1.52751   111.30098   -58.29567
   47    46 S   HC   _H13    43     1.09888   108.93013   179.90721
   48    46 S   HC   _H14    44     1.09861   108.76481   -67.21679
   49    44 S   OH   _O34    71     1.42710   107.94722  -177.77393
   50    49 S   HO   _H21    72     0.97264   107.49818  -178.70050
   51    46 S   CT   _C15    45     1.55230   113.76109    56.39551
   52    33 S   CT   _C10    46     1.60194   111.50715  -168.57325
   53    51 S   CT   _C16    63     1.55502   106.97864  -171.03167
   54    53 S   HC   _H15    64     1.09514   111.53967  -177.67982
   55    53 S   HC   _H16    65     1.09505   112.09104    61.13804
   56    53 S   HC   _H17    66     1.09669   110.98273   -58.16208
   57    51 S   CT   _C17    67     1.54861   108.07049    75.59564
   58    57 S   HC   _H18    68     1.09415   112.16584   178.91430
   59    57 S   HC   _H19    69     1.09756   110.49678    60.46213
   60    57 S   HC   _H20    70     1.09011   113.25329   -57.97654
   61    52 S   CM   _C9_    47     1.53504   112.01568   -52.54213
   62    61 S   HC   _H10    48     1.08621   114.90590    66.32222
   63    52 S   OH   _O35    61     1.45047   106.05210  -167.86982
   64    63 S   HO   _H25    62     0.96963   109.49933   -66.13905
   65    61 S   CM   _C8_    49     1.34664   126.87039  -113.71488
   66    65 S   HC   _H9_    50     1.08425   117.28049     0.04846
   67    65 S   CM   _C5_    51     1.46243   126.30845   179.93744
   68    67 S   CM   _C6_    52     1.34766   124.38537   179.74744
   69    68 S   HC   _H7_    53     1.08792   119.73711   179.94405
   70    67 S   CT   _C4_    57     1.51179   117.57637    -0.31775
   71    70 S   HC   _H4_    58     1.09560   110.75651    60.71860
   72    70 S   HC   _H5_    59     1.09562   110.75807   -60.40250
   73    70 S   HC   _H6_    60     1.09597   112.32527  -179.83807
   74    68 S   CO4  _C7_    54     1.48102   126.98881    -0.08847
   75    74 S   O    _O33    55     1.22636   121.42573   179.92087
   76    74 S   HC   _H8_    56     1.09835   117.45649    -0.10087
  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  13   5   4   3
  20   2   1   1  17   7   6   8   3   2   1  10   6  16   6   5
   2   1  14  15   9   3   2   1   5   2   1   1   8   4   2   1
   9   3   9   8   4   4   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    51    52    61    63    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    51    52    61    62    65    63    64    53    57    49    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    48    51    52    61    63    49    50    40    41    42    43  
   39    44    45    46    52    49    40  
   44    45    46    52    49    40  
   41    42    43    44    51    52    61    63  
   42    43    52  
   43    52  
   52  
   45    46    47    48    51    52    53    57    49    50  
   46    47    48    51    49    50  
   47    48    51    52    61    63    53    54    55    56    57    58    59    60    49    50  
   48    51    52    53    57    49  
   51    52    53    57    49  
   50    51  
    0  
   52    61    62    65    63    64    53    54    55    56    57    58    59    60  
   61    62    65    66    67    63    64    53    54    55    56    57    58    59    60  
   54    55    56    57    58    59    60    61    63  
   55    56    57  
   56    57  
   57  
   58    59    60    61    63  
   59    60  
   60  
    0  
   62    65    66    67    68    70    63    64  
   65    66    67    63  
   64    65  
    0  
   66    67    68    69    74    70    71    72    73  
   67    68    70  
   68    69    74    75    76    70    71    72    73  
   69    74    75    76    70    71    72    73  
   74    75    76    70  
   71    72    73    74  
   72    73  
   73  
    0  
   75    76  
   76  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   76   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    52   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   268.000  1.529
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   268.000  1.529
   51    53   268.000  1.529
   51    57   268.000  1.529
   52    61   317.000  1.510
   52    63   320.000  1.410
   61    62   340.000  1.080
   61    65   549.000  1.340
   65    66   340.000  1.080
   65    67   380.000  1.444
   67    68   549.000  1.340
   67    70   317.000  1.510
   68    69   340.000  1.080
   68    74   320.000  1.462
   74    75   570.000  1.229
   74    76   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   63    64   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   49    50   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    52    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    58.35000  112.70000
   33    52    51    58.35000  112.70000
   33    52    61    70.00000  112.02700
   33    52    63    50.00000  109.50000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    37.50000  110.70000
   37    44    46    58.35000  112.70000
   37    44    49    50.00000  109.50000
   39    37    38    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    39    37.50000  110.70000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    58.35000  112.70000
   44    49    50    55.00000  108.50000
   46    44    45    37.50000  110.70000
   46    51    52    58.35000  112.70000
   46    51    53    58.35000  112.70000
   46    51    57    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    52    61    70.00000  112.02700
   51    52    63    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    56    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    37.50000  110.70000
   52    33    37    58.35000  112.70000
   52    61    62    35.00000  117.00000
   52    61    65    70.00000  124.00000
   52    63    64    55.00000  108.50000
   61    65    66    35.00000  120.00000
   61    65    67    70.00000  123.01800
   65    61    62    35.00000  120.00000
   65    67    68    70.00000  123.01800
   65    67    70    70.00000  124.00000
   67    65    66    35.00000  120.00000
   67    68    69    35.00000  120.00000
   67    68    74    65.00000  118.96000
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    73    35.00000  109.50000
   68    74    75    80.00000  123.72100
   68    74    76    40.00000  115.75000
   74    68    69    40.00000  117.72500
   76    74    75    35.00000  123.00000
   70    67    68    70.00000  124.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   63    52    61    90.00000  110.39200
   53    51    52    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    51    52    58.35000  112.70000
   57    51    53    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   49    44    45    35.00000  109.50000
   49    44    46    50.00000  109.50000
   40    33    37    58.35000  112.70000
   40    33    52    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   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
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    52    51   0.44750  1.0 1.0
   29    33    52    51  -0.17800 -1.0 2.0
   29    33    52    51   0.20200  1.0 3.0
   29    33    52    61   0.56750  1.0 1.0
   29    33    52    61  -0.07550 -1.0 2.0
   29    33    52    61   0.20000  1.0 3.0
   29    33    52    63   0.56750  1.0 1.0
   29    33    52    63  -0.07550 -1.0 2.0
   29    33    52    63   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37    44    45   0.15000  1.0 3.0
   33    37    44    46   0.56750  1.0 1.0
   33    37    44    46  -0.07550 -1.0 2.0
   33    37    44    46   0.20000  1.0 3.0
   33    37    44    49   0.86500  1.0 1.0
   33    37    44    49  -0.17500 -1.0 2.0
   33    37    44    49   0.20800  1.0 3.0
   33    52    61    62   0.00000  1.0 1.0
   33    52    61    65   0.09850  1.0 1.0
   33    52    61    65   0.15250 -1.0 2.0
   33    52    61    65  -0.50650  1.0 3.0
   33    52    63    64  -0.11600  1.0 1.0
   33    52    63    64  -0.09450 -1.0 2.0
   33    52    63    64   0.21250  1.0 3.0
   37    33    52    51   0.56750  1.0 1.0
   37    33    52    51  -0.07550 -1.0 2.0
   37    33    52    51   0.20000  1.0 3.0
   37    33    52    61   0.34400  1.0 1.0
   37    33    52    61   0.09450 -1.0 2.0
   37    33    52    61   0.11100  1.0 3.0
   37    33    52    63   0.86500  1.0 1.0
   37    33    52    63  -0.17500 -1.0 2.0
   37    33    52    63   0.20800  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    43   0.15000  1.0 3.0
   37    44    46    47   0.15000  1.0 3.0
   37    44    46    48   0.15000  1.0 3.0
   37    44   -46    51   0.56750  1.0 1.0
   37    44   -46    51  -0.07550 -1.0 2.0
   37    44   -46    51   0.20000  1.0 3.0
   37    44    49    50  -0.11600  1.0 1.0
   37    44    49    50  -0.09450 -1.0 2.0
   37    44    49    50   0.21250  1.0 3.0
   38    37    44    45   0.15000  1.0 3.0
   38    37    44    46   0.15000  1.0 3.0
   38    37    44    49   0.23400  1.0 3.0
   39    37    44    45   0.15000  1.0 3.0
   39    37    44    46   0.15000  1.0 3.0
   39    37    44    49   0.23400  1.0 3.0
   44    46    51    52   0.56750  1.0 1.0
   44    46    51    52  -0.07550 -1.0 2.0
   44    46    51    52   0.20000  1.0 3.0
   44    46    51    53   0.56750  1.0 1.0
   44    46    51    53  -0.07550 -1.0 2.0
   44    46    51    53   0.20000  1.0 3.0
   44    46    51    57   0.56750  1.0 1.0
   44    46    51    57  -0.07550 -1.0 2.0
   44    46    51    57   0.20000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    50   0.19450  1.0 3.0
   46    44    49    50  -0.11600  1.0 1.0
   46    44    49    50  -0.09450 -1.0 2.0
   46    44    49    50   0.21250  1.0 3.0
   46    51   -52    33   0.56750  1.0 1.0
   46    51   -52    33  -0.07550 -1.0 2.0
   46    51   -52    33   0.20000  1.0 3.0
   46    51    52    61   0.34400  1.0 1.0
   46    51    52    61   0.09450 -1.0 2.0
   46    51    52    61   0.11100  1.0 3.0
   46    51    52    63   0.86500  1.0 1.0
   46    51    52    63  -0.17500 -1.0 2.0
   46    51    52    63   0.20800  1.0 3.0
   46    51    53    54   0.15000  1.0 3.0
   46    51    53    55   0.15000  1.0 3.0
   46    51    53    56   0.15000  1.0 3.0
   46    51    57    58   0.15000  1.0 3.0
   46    51    57    59   0.15000  1.0 3.0
   46    51    57    60   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    57   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    57   0.15000  1.0 3.0
   51    52    61    62   0.00000  1.0 1.0
   51    52    61    65   0.09850  1.0 1.0
   51    52    61    65   0.15250 -1.0 2.0
   51    52    61    65  -0.50650  1.0 3.0
   51    52    63    64  -0.11600  1.0 1.0
   51    52    63    64  -0.09450 -1.0 2.0
   51    52    63    64   0.21250  1.0 3.0
   52    33    37    38   0.15000  1.0 3.0
   52    33    37    39   0.15000  1.0 3.0
   52    33   -37    44   0.56750  1.0 1.0
   52    33   -37    44  -0.07550 -1.0 2.0
   52    33   -37    44   0.20000  1.0 3.0
   52    33    40    41   0.15000  1.0 3.0
   52    33    40    42   0.15000  1.0 3.0
   52    33    40    43   0.15000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    56   0.15000  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    60   0.15000  1.0 3.0
   52    61    65    66   7.00000 -1.0 2.0
   52    61    65    67   7.00000 -1.0 2.0
   61    52    63    64  -0.07800  1.0 1.0
   61    52    63    64  -0.21500 -1.0 2.0
   61    52    63    64  -0.03150  1.0 3.0
   61    65    67    68   0.28850  1.0 1.0
   61    65    67    68   2.61350 -1.0 2.0
   61    65    67    68   0.78400  1.0 3.0
   61    65    67    70  -0.18600  1.0 3.0
   62    61    65    66   7.00000 -1.0 2.0
   62    61    65    67   7.00000 -1.0 2.0
   65    67    68    69   7.00000 -1.0 2.0
   65    67    68    74   7.00000 -1.0 2.0
   65    67    70    71   0.00000  1.0 1.0
   65    67    70    72   0.00000  1.0 1.0
   65    67    70    73   0.00000  1.0 1.0
   66    65    67    68  -0.18600  1.0 3.0
   66    65    67    70   0.00000  1.0 1.0
   67    68    74    75   1.00000 -1.0 2.0
   67    68    74    76  -0.79650  1.0 1.0
   67    68    74    76   1.60950 -1.0 2.0
   67    68    74    76  -0.26250  1.0 3.0
   68    67    70    71   0.00000  1.0 1.0
   68    67    70    72   0.00000  1.0 1.0
   68    67    70    73   0.00000  1.0 1.0
   69    68    74    75   0.00000  1.0 1.0
   69    68    74    76   0.93100 -1.0 2.0
   70    67    68    69   7.00000 -1.0 2.0
   70    67    68    74   7.00000 -1.0 2.0
   63    52    61    62   0.00000  1.0 1.0
   63    52    61    65   0.67800  1.0 1.0
   63    52    61    65   0.47050 -1.0 2.0
   63    52    61    65  -0.62500  1.0 3.0
   53    51    52    33   0.56750  1.0 1.0
   53    51    52    33  -0.07550 -1.0 2.0
   53    51    52    33   0.20000  1.0 3.0
   53    51    52    61   0.34400  1.0 1.0
   53    51    52    61   0.09450 -1.0 2.0
   53    51    52    61   0.11100  1.0 3.0
   53    51    52    63   0.86500  1.0 1.0
   53    51    52    63  -0.17500 -1.0 2.0
   53    51    52    63   0.20800  1.0 3.0
   53    51    57    58   0.15000  1.0 3.0
   53    51    57    59   0.15000  1.0 3.0
   53    51    57    60   0.15000  1.0 3.0
   57    51    52    33   0.56750  1.0 1.0
   57    51    52    33  -0.07550 -1.0 2.0
   57    51    52    33   0.20000  1.0 3.0
   57    51    52    61   0.34400  1.0 1.0
   57    51    52    61   0.09450 -1.0 2.0
   57    51    52    61   0.11100  1.0 3.0
   57    51    52    63   0.86500  1.0 1.0
   57    51    52    63  -0.17500 -1.0 2.0
   57    51    52    63   0.20800  1.0 3.0
   57    51    53    54   0.15000  1.0 3.0
   57    51    53    55   0.15000  1.0 3.0
   57    51    53    56   0.15000  1.0 3.0
   49    44    46    47   0.23400  1.0 3.0
   49    44    46    48   0.23400  1.0 3.0
   49    44    46    51   0.86500  1.0 1.0
   49    44    46    51  -0.17500 -1.0 2.0
   49    44    46    51   0.20800  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44   0.56750  1.0 1.0
   40    33    37    44  -0.07550 -1.0 2.0
   40    33    37    44   0.20000  1.0 3.0
   40    33    52    51   0.56750  1.0 1.0
   40    33    52    51  -0.07550 -1.0 2.0
   40    33    52    51   0.20000  1.0 3.0
   40    33    52    61   0.34400  1.0 1.0
   40    33    52    61   0.09450 -1.0 2.0
   40    33    52    61   0.11100  1.0 3.0
   40    33    52    63   0.86500  1.0 1.0
   40    33    52    63  -0.17500 -1.0 2.0
   40    33    52    63   0.20800  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
   35    30    34    36  10.50000 -1.0 2.0
   52    62    61    65  15.00000 -1.0 2.0
   67    66    65    61  15.00000 -1.0 2.0
   65    70    67    68  15.00000 -1.0 2.0
   74    69    68    67  15.00000 -1.0 2.0
   68    76    74    75  10.50000 -1.0 2.0
END
