* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    129    206     385
    1     0 S   NP   _N1_     1    29.21682    93.07677   -23.27530
    2     1 S   H    _HN1     2     1.02759    90.75234  -110.13311
    3     1 S   H    _H1_     3     1.02921   102.26914    -1.21708
    4     1 S   H    _H2_     4     1.02912    21.25963   105.06808
    5     1 S   CT   _CA1     5     1.50400   129.85412   129.52549
    6     5 S   HC   _HA1     6     1.09675   104.80630    53.32083
    7     5 S   CO3  _C1_     7     1.54544   110.62109   -62.81543
    8     7 S   O2Z  _O11     8     1.26051   116.76237  -116.33808
    9     7 S   O2Z  _O12     9     1.26593   113.66011    62.47964
   10     5 S   CT   _CB1    10     1.52963   106.85209   169.37249
   11    10 S   HC   HB11    11     1.09836   110.17302   -44.02119
   12    10 S   HC   HB12    12     1.09590   109.84904    72.34596
   13    10 S   CT   _CG1    13     1.53001   112.67407  -164.86682
   14    13 S   HC   HG11    14     1.09518   110.89673   -48.42570
   15    13 S   HC   HG12    15     1.09609   110.10511    70.62956
   16    13 S   C    _CD1    16     1.51700   111.58077  -169.12000
   17    16 S   O    _OE1    17     1.22753   123.14936   -14.06733
   18    16 S   N    _N2_    18     1.38545   111.92718   166.13752
   19    18 S   H    _HN2    19     1.01565   119.21187     4.99724
   20    18 S   CT1  _CA2    20     1.46005   123.10893  -173.97452
   21    20 S   HC   _HA2    21     1.09619   109.29133     1.15046
   22    20 S   C    _C2_    22     1.53351   109.29697  -114.52162
   23    22 S   O    _O2_    23     1.23052   122.04156  -145.52289
   24    20 S   CT   _CB2    32     1.53445   111.37311   122.70852
   25    24 S   HC   HB21    33     1.09661   109.61515    67.00830
   26    24 S   HC   HB22    34     1.09578   110.74009  -175.76997
   27    22 S   N    _N3_    24     1.38445   113.63619    41.97849
   28    27 S   H    _HN3    25     1.01486   119.06303    -0.13562
   29    24 S   S    _SG2    35     1.82963   114.84647   -52.52158
   30    27 S   CT   _CA3    26     1.45438   123.19330   175.05565
   31    30 S   HC   HA31    27     1.09541   108.93208    29.86486
   32    30 S   HC   HA32    28     1.09487   107.17981   146.83554
   33    29 S   CT   _C4_    36     1.82821   100.08876   -64.90981
   34    33 S   HC   _H7_    37     1.09459   107.79921   -54.55386
   35    33 S   HC   _H8_    38     1.09004   108.22800    62.95176
   36    30 S   CO3  _C3_    29     1.52961   113.41102   -93.38379
   37    36 S   O2Z  _O31    30     1.26382   115.56199   -40.59805
   38    36 S   O2Z  _O32    31     1.26385   114.87478   140.36412
   39    33 S   CT   _C5_    39     1.53957   110.35925  -174.68058
   40    39 S   HC   _H3_    40     1.09838   107.80956    49.31647
   41    39 S   CT   _C6_    41     1.55401   112.52092   166.84426
   42    41 S   HC   _H4_    42     1.09964   108.56973   -40.24133
   43    41 S   CT   _C7_    43     1.55121   113.30688    81.48065
   44    41 S   OS   _O37    68     1.43887   106.90634  -159.94675
   45    43 S   CT   _C8_    44     1.53051   108.57902    48.52860
   46    45 S   HC   _H5_    45     1.09966   108.48745    63.50744
   47    43 S   OH   _O35    64     1.42662   109.61200   -71.62518
   48    47 S   HO   _H14    65     0.97187   107.27165   -50.07056
   49    43 S   OH   _O36    66     1.42682   111.46063   167.81712
   50    49 S   HO   _H15    67     0.98002   108.00096     7.99765
   51    44 S   PR   _P1_    69     1.62228   117.81547   119.23454
   52    51 S   OM   _O39    70     1.64288    98.04409    65.64143
   53    51 S   OM   _O38    71     1.63993    97.59624   164.67543
   54    45 S   CO   _C9_    46     1.53807   109.74536   -56.15345
   55    54 S   HC   _H6_    47     1.09547   111.21758   -58.30260
   56    54 S   NE   _N4_    48     1.45994   108.67336  -175.02712
   57    56 S   H    _H9_    49     1.01630   118.63282  -159.96529
   58    39 S   OS   _O33    63     1.44207   112.04907   -65.58377
   59    56 S   CM   _C10    50     1.40075   122.46297    40.52592
   60    59 S   CM   _C11    51     1.35953   116.57673   -13.35457
   61    60 S   C    _C12    52     1.48409   119.17746   178.83366
   62    61 S   O    _O34    53     1.22712   122.27970  -178.84343
   63    45 S   NE   _N8_    61     1.46088   113.57909  -177.88067
   64    63 S   H    _H13    62     1.01536   119.25730   -36.55643
   65    61 S   N    _N5_    54     1.37554   113.85221     1.40235
   66    65 S   H    _H10    55     1.01360   117.71362   179.20969
   67    65 S   CDX  _C13    56     1.37925   123.34599    -0.86818
   68    59 S   NI   _N6_    57     1.38176   120.91386   166.20001
   69    67 S   NE   _N7_    58     1.36627   115.96129   179.94405
   70    69 S   H    _H11    59     1.01407   120.47145  -177.06615
   71    69 S   H    _H12    60     1.01315   121.95117    -1.65588
  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  13   6  15   7  15   7  15   9   5   1
   3   1   2   1   1   9   5   8   4   2   9   8   8   4   3   1
   6   3   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    58  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    54    58    44  
   35    39    40    41    58  
   39    40    41    58  
   37    38  
   38  
    0  
   40    41    42    43    45    54    55    56    58    47    49    44    51  
   41    42    43    54    58    44  
   42    43    45    46    54    63    58    47    48    49    50    44    51    52    53  
   43    45    58    47    49    44    51  
   45    46    54    55    56    60    63    64    58    47    48    49    50    44    51  
   51    52    53    45    47    49    58  
   46    54    55    56    57    59    60    61    63    64    58    47    48    49    50  
   54    55    56    60    63    64    58    47    49  
   48    49    50    54    63  
   49  
   50    54    63  
    0  
   52    53  
   53  
    0  
   55    56    57    59    60    68    63    64    58  
   56    57    59    63    58  
   57    59    60    61    67    68    63    58  
   59    60    68    58  
   59    63  
   60    61    62    65    67    68    69    63    64  
   61    62    65    66    67    68    63    64  
   62    65    66    67    68    69    63    64  
   65    66    67    63  
   64    65    68  
    0  
   66    67    68    69    70    71  
   67    68    69  
   68    69    70    71  
   69    70    71  
   70    71  
   71  
    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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.530000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.9000   0.1400  -1.312500   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660   0.175300   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.7400   0.2000   0.937500   2.1070   1.8700   0.005000000   0.000000000
   52   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   53   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   54   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0150   0.100000   1.4250   1.2500   0.008598240   0.268726247
   56   3.2500   0.1700  -0.494200   2.1120   1.8750   0.051222218  -2.220205820
   57   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   58   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5500   0.0760   0.140500   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760  -0.038700   2.0020   1.7750   0.023028004  -0.852763146
   61   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   63   3.2500   0.1700  -0.607000   2.1120   1.8750   0.051222218  -2.220205820
   64   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   65   3.2500   0.1700  -0.422500   2.1120   1.8750   0.051222218  -2.220205820
   66   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   67   3.7500   0.1050   0.546500   2.1120   1.8750   0.001000000  -0.126889456
   68   3.2800   0.1700  -0.481500   1.9250   1.7000   0.054801302  -2.445846770
   69   3.2500   0.1700  -0.785000   2.1120   1.8750   0.051222218  -2.220205820
   70   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   71   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    58   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    44   320.000  1.410
   43    45   268.000  1.529
   43    47   320.000  1.410
   43    49   320.000  1.410
   45    46   340.000  1.090
   45    54   250.000  1.527
   45    63   382.000  1.448
   54    55   340.000  1.090
   54    56   320.000  1.442
   54    58   320.000  1.380
   56    57   434.000  1.010
   56    59   425.000  1.378
   59    60   549.000  1.340
   59    68   405.000  1.380
   60    61   410.000  1.444
   60    63   425.000  1.378
   61    62   570.000  1.229
   61    65   490.000  1.335
   65    66   434.000  1.010
   65    67   400.000  1.380
   67    68   650.000  1.285
   67    69   445.000  1.380
   69    70   434.000  1.010
   69    71   434.000  1.010
   63    64   434.000  1.010
   47    48   553.000  0.945
   49    50   553.000  0.945
   44    51   325.000  1.672
   51    52   325.000  1.672
   51    53   325.000  1.672
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    58    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    58.35000  112.70000
   39    41    44    50.00000  109.50000
   39    58    54    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    45    58.35000  112.70000
   41    43    47    50.00000  109.50000
   41    43    49    50.00000  109.50000
   41    44    51   100.00000  120.50000
   43    41    42    37.50000  110.70000
   43    45    46    37.50000  110.70000
   43    45    54    75.00000  109.43000
   43    45    63    80.00000  111.61500
   43    47    48    55.00000  108.50000
   43    49    50    55.00000  108.50000
   45    54    55    45.00000  112.01100
   45    54    56    85.00000  109.98000
   45    54    58    90.00000  108.56700
   45    63    60    50.00000  121.00000
   45    63    64    35.00000  112.50000
   54    45    46    45.00000  108.72000
   54    56    57    50.00000  113.12000
   54    56    59    50.00000  121.00000
   56    54    55    50.00000  108.16000
   56    59    60    70.00000  124.03900
   56    59    68    85.00000  113.56000
   59    56    57    35.00000  114.50000
   59    60    61    70.00000  118.70000
   59    60    63    70.00000  124.03900
   59    68    67    70.00000  116.49400
   60    61    62    80.00000  125.30000
   60    61    65    80.00000  111.56200
   60    63    64    35.00000  114.50000
   61    65    66    35.00000  119.80000
   61    65    67    70.00000  120.51600
   65    61    62    80.00000  122.90000
   65    67    68    80.00000  119.04400
   65    67    69    85.00000  111.44000
   67    65    66    45.00000  120.05200
   67    69    70    35.00000  119.50000
   67    69    71    35.00000  119.50000
   68    59    60    70.00000  120.83400
   69    67    68    75.00000  124.36500
   71    69    70    35.00000  109.00000
   63    45    46    35.00000  109.50000
   63    45    54    80.00000  111.61500
   63    60    61    70.00000  117.92000
   58    39    40    35.00000  109.50000
   58    39    41    50.00000  109.50000
   58    54    55    35.00000  109.50000
   58    54    56    95.00000  112.71300
   47    43    45    50.00000  109.50000
   49    43    45    50.00000  109.50000
   49    43    47   115.00000  113.08500
   44    41    42    35.00000  109.50000
   44    41    43    50.00000  109.50000
   44    51    52    45.00000  102.60000
   44    51    53    45.00000  102.60000
   53    51    52    35.00000   94.00000
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    58   0.56750  1.0 1.0
   29    33    39    58  -0.07550 -1.0 2.0
   29    33    39    58   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    44   0.62750  1.0 1.0
   33    39    41    44  -0.30950 -1.0 2.0
   33    39    41    44   0.27300  1.0 3.0
   33    39    58    54   0.06250  1.0 1.0
   33    39    58    54  -0.01100 -1.0 2.0
   33    39    58    54   0.28050  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    58   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    58   0.23400  1.0 3.0
   39    41    43    45   0.56750  1.0 1.0
   39    41    43    45  -0.07550 -1.0 2.0
   39    41    43    45   0.20000  1.0 3.0
   39    41    43    47   0.86500  1.0 1.0
   39    41    43    47  -0.17500 -1.0 2.0
   39    41    43    47   0.20800  1.0 3.0
   39    41    43    49   0.86500  1.0 1.0
   39    41    43    49  -0.17500 -1.0 2.0
   39    41    43    49   0.20800  1.0 3.0
   39    41    44    51  -2.65550  1.0 1.0
   39    41    44    51  -0.22350 -1.0 2.0
   39    41    44    51   0.24150  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    44   0.23400  1.0 3.0
   40    39    58    54   0.37050  1.0 3.0
   41    39    58    54   0.06250  1.0 1.0
   41    39    58    54  -0.01100 -1.0 2.0
   41    39    58    54   0.28050  1.0 3.0
   41    43    45    46   0.15000  1.0 3.0
   41    43   -45    54   3.97050  1.0 1.0
   41    43    45    63   1.26750  1.0 1.0
   41    43    45    63  -0.00950 -1.0 2.0
   41    43    45    63   0.30600  1.0 3.0
   41    43    47    48  -0.11600  1.0 1.0
   41    43    47    48  -0.09450 -1.0 2.0
   41    43    47    48   0.21250  1.0 3.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  1.0 3.0
   41    44    51    52   0.05050  1.0 1.0
   41    44    51    52  -1.30700 -1.0 2.0
   41    44    51    52   0.91550  1.0 3.0
   41    44    51    53   0.05050  1.0 1.0
   41    44    51    53  -1.30700 -1.0 2.0
   41    44    51    53   0.91550  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    47   0.23400  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    44    51   0.03000  1.0 3.0
   43    41    44    51  -2.65550  1.0 1.0
   43    41    44    51  -0.22350 -1.0 2.0
   43    41    44    51   0.24150  1.0 3.0
   43    45    54    55   0.15000  1.0 3.0
   43    45    54    56   1.26750  1.0 1.0
   43    45    54    56  -0.00950 -1.0 2.0
   43    45    54    56   0.30600  1.0 3.0
   43    45    54    58   0.62750  1.0 1.0
   43    45    54    58  -0.30950 -1.0 2.0
   43    45    54    58   0.27300  1.0 3.0
   43    45    63    60   0.25450  1.0 1.0
   43    45    63    60  -0.61700 -1.0 2.0
   43    45    63    60  -0.23550  1.0 3.0
   43    45    63    64   0.00000  1.0 1.0
   45    43    47    48  -0.11600  1.0 1.0
   45    43    47    48  -0.09450 -1.0 2.0
   45    43    47    48   0.21250  1.0 3.0
   45    43    49    50  -0.11600  1.0 1.0
   45    43    49    50  -0.09450 -1.0 2.0
   45    43    49    50   0.21250  1.0 3.0
   45    54    56    57   0.00000  1.0 1.0
   45    54    56    59   0.25450  1.0 1.0
   45    54    56    59  -0.61700 -1.0 2.0
   45    54    56    59  -0.23550  1.0 3.0
   45    54   -58    39   0.06250  1.0 1.0
   45    54   -58    39  -0.01100 -1.0 2.0
   45    54   -58    39   0.28050  1.0 3.0
   46    45    54    55   0.15000  1.0 3.0
   46    45    54    56   0.22950  1.0 3.0
   46    45    54    58   0.23400  1.0 3.0
   46    45    63    60   0.00000  1.0 1.0
   46    45    63    64   0.00000  1.0 1.0
   54    45    63    60   0.25450  1.0 1.0
   54    45    63    60  -0.61700 -1.0 2.0
   54    45    63    60  -0.23550  1.0 3.0
   54    45    63    64   0.00000  1.0 1.0
   54    56   -59    60  -0.54700  1.0 1.0
   54    56   -59    60   1.23000 -1.0 2.0
   54    56    59    68   1.00000 -1.0 2.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    59   0.00000  1.0 1.0
   55    54    58    39   0.37050  1.0 3.0
   56    54    58    39  -0.25000  1.0 1.0
   56    54    58    39  -0.75000 -1.0 2.0
   56    54    58    39   0.50000  1.0 3.0
   56    59    60    61   7.00000 -1.0 2.0
   56    59    60    63   7.00000 -1.0 2.0
   56    59    68    67   1.00000 -1.0 2.0
   57    56    59    60   1.00000 -1.0 2.0
   57    56    59    68   1.00000 -1.0 2.0
   59    60    61    62   1.00000 -1.0 2.0
   59    60    61    65   0.49500  1.0 1.0
   59    60    61    65   1.31600 -1.0 2.0
   59    60    61    65  -0.02300  1.0 3.0
   59    60   -63    45  -0.54700  1.0 1.0
   59    60   -63    45   1.23000 -1.0 2.0
   59    60    63    64   1.00000 -1.0 2.0
   60    59    68    67   1.00000 -1.0 2.0
   60    61    65    66   2.56700 -1.0 2.0
   60    61   -65    67   2.45000 -1.0 2.0
   61    60    63    45   1.00000 -1.0 2.0
   61    60    63    64   1.00000 -1.0 2.0
   61    65    67    68  -0.56400  1.0 1.0
   61    65    67    68   0.77500 -1.0 2.0
   61    65    67    68   0.18700  1.0 3.0
   61    65    67    69  -0.56400  1.0 1.0
   61    65    67    69   0.77500 -1.0 2.0
   61    65    67    69   0.18700  1.0 3.0
   62    61    65    66   2.45000 -1.0 2.0
   62    61    65    67   2.67200 -1.0 2.0
   65    67   -68    59   6.00000 -1.0 2.0
   65    67    69    70   1.00000 -1.0 2.0
   65    67    69    71   1.00000 -1.0 2.0
   66    65    67    68   1.00000 -1.0 2.0
   66    65    67    69   1.00000 -1.0 2.0
   68    59   -60    61   7.00000 -1.0 2.0
   68    59    60    63   7.00000 -1.0 2.0
   68    67    69    70   1.50000 -1.0 2.0
   68    67    69    71   1.50000 -1.0 2.0
   69    67    68    59   6.00000 -1.0 2.0
   63    45    54    55   0.22950  1.0 3.0
   63    45   -54    56   2.20050  1.0 1.0
   63    45   -54    56   0.63450 -1.0 2.0
   63    45   -54    56  -0.91300  1.0 3.0
   63    45    54    58   2.03850  1.0 1.0
   63    45    54    58  -0.40600 -1.0 2.0
   63    60    61    62  -0.52200  1.0 1.0
   63    60    61    62   0.82950 -1.0 2.0
   63    60    61    65   1.50000 -1.0 2.0
   58    39    41    42   0.23400  1.0 3.0
   58    39   -41    43   0.62750  1.0 1.0
   58    39   -41    43  -0.30950 -1.0 2.0
   58    39   -41    43   0.27300  1.0 3.0
   58    39    41    44   1.11900  1.0 1.0
   58    39    41    44  -1.16350 -1.0 2.0
   58    39    41    44  -0.34150  1.0 3.0
   58    54    56    57  -1.49000  1.0 1.0
   58    54    56    57  -2.58450 -1.0 2.0
   58    54    56    59   0.75000  1.0 1.0
   58    54    56    59  -0.75000 -1.0 2.0
   47    43    45    46   0.23400  1.0 3.0
   47    43    45    54   0.86500  1.0 1.0
   47    43    45    54  -0.17500 -1.0 2.0
   47    43    45    54   0.20800  1.0 3.0
   47    43    45    63   4.07950  1.0 1.0
   47    43    45    63  -0.26450 -1.0 2.0
   47    43    45    63  -0.12150  1.0 3.0
   47    43    49    50   0.13450  1.0 1.0
   47    43    49    50  -0.58300 -1.0 2.0
   47    43    49    50   0.14300  1.0 3.0
   49    43    45    46   0.23400  1.0 3.0
   49    43    45    54   0.86500  1.0 1.0
   49    43    45    54  -0.17500 -1.0 2.0
   49    43    45    54   0.20800  1.0 3.0
   49    43    45    63   4.07950  1.0 1.0
   49    43    45    63  -0.26450 -1.0 2.0
   49    43    45    63  -0.12150  1.0 3.0
   49    43    47    48   0.13450  1.0 1.0
   49    43    47    48  -0.58300 -1.0 2.0
   49    43    47    48   0.14300  1.0 3.0
   44    41    43    45   0.62750  1.0 1.0
   44    41    43    45  -0.30950 -1.0 2.0
   44    41    43    45   0.27300  1.0 3.0
   44    41    43    47   3.69350  1.0 1.0
   44    41    43    47  -1.82950 -1.0 2.0
   44    41    43    49   3.69350  1.0 1.0
   44    41    43    49  -1.82950 -1.0 2.0
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
   57    59    56    54   1.00000 -1.0 2.0
   56    68    59    60   1.10000 -1.0 2.0
   61    63    60    59   1.10000 -1.0 2.0
   60    65    61    62  10.50000 -1.0 2.0
   66    61    65    67   1.00000 -1.0 2.0
   65    69    67    68  10.50000 -1.0 2.0
   71    67    69    70   1.00000 -1.0 2.0
   64    60    63    45   1.00000 -1.0 2.0
END
