* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    129    206     385
    1     0 S   NP   _N1_     1    28.84826    95.63082   -23.02207
    2     1 S   H    _HN1     2     1.02952    77.52001    14.86968
    3     1 S   H    _H1_     3     1.02830    34.10339   164.58608
    4     1 S   H    _H2_     4     1.02784   102.22173   -91.50591
    5     1 S   CT   _CA1     5     1.50108   138.91692   121.71506
    6     5 S   HC   _HA1     6     1.09573   105.21612    83.29588
    7     5 S   CO3  _C1_     7     1.53792   112.39854   -36.96191
    8     7 S   O2Z  _O11     8     1.26371   115.00614   -44.07968
    9     7 S   O2Z  _O12     9     1.26237   114.93788   135.05763
   10     5 S   CT   _CB1    10     1.53078   107.42305  -158.74153
   11    10 S   HC   HB11    11     1.09832   109.38852   -49.99511
   12    10 S   HC   HB12    12     1.09815   110.44429    66.60674
   13    10 S   CT   _CG1    13     1.52993   112.59628  -170.98716
   14    13 S   HC   HG11    14     1.09587   110.58993   -64.74286
   15    13 S   HC   HG12    15     1.09668   109.83268    54.48765
   16    13 S   C    _CD1    16     1.51803   112.24347   174.93453
   17    16 S   O    _OE1    17     1.22711   123.22978     4.93674
   18    16 S   N    _N2_    18     1.38613   111.62799  -175.20449
   19    18 S   H    _HN2    19     1.01571   118.97376     1.26579
   20    18 S   CT1  _CA2    20     1.46213   123.44811   178.11135
   21    20 S   HC   _HA2    21     1.09575   109.39058    -2.57694
   22    20 S   C    _C2_    22     1.53489   108.14006  -117.70442
   23    22 S   O    _O2_    23     1.23031   122.46711  -145.67004
   24    20 S   CT   _CB2    32     1.53278   111.57251   120.07182
   25    24 S   HC   HB21    33     1.09650   109.69477    59.60797
   26    24 S   HC   HB22    34     1.09559   111.12453   177.20257
   27    22 S   N    _N3_    24     1.38409   113.48033    41.49708
   28    27 S   H    _HN3    25     1.01607   119.47410    -2.95161
   29    24 S   S    _SG2    35     1.82813   113.93119   -60.00472
   30    27 S   CT   _CA3    26     1.45266   123.17653   177.14748
   31    30 S   HC   HA31    27     1.09551   107.46062   -65.44216
   32    30 S   HC   HA32    28     1.09558   108.02963    50.98000
   33    29 S   CT   _C4_    36     1.83013    99.46758   -72.34745
   34    33 S   HC   _H7_    37     1.09453   107.54375   -57.09551
   35    33 S   HC   _H8_    38     1.09298   108.39698    61.47729
   36    30 S   CO3  _C3_    29     1.52945   114.12817   172.99431
   37    36 S   O2Z  _O31    30     1.26368   116.09666    -1.69061
   38    36 S   O2Z  _O32    31     1.26435   114.40262   178.40676
   39    33 S   CT   _C5_    39     1.53516   110.63658  -178.15963
   40    39 S   HC   _H3_    40     1.09838   109.22990   -49.64293
   41    39 S   CT   _C6_    41     1.54679   111.37791  -170.59529
   42    41 S   HC   _H4_    42     1.10049   107.73107    63.62662
   43    41 S   CT   _C7_    43     1.54442   109.30870  -177.65298
   44    41 S   OS   _O37    68     1.43231   108.66494   -57.10260
   45    43 S   CT   _C8_    44     1.53726   112.29688    51.07786
   46    45 S   HC   _H5_    45     1.09878   109.30327  -166.28025
   47    43 S   OH   _O35    64     1.43491   106.84338   -68.02819
   48    47 S   HO   _H14    65     0.97180   107.60078   168.54020
   49    43 S   OH   _O36    66     1.42579   111.67024   174.82725
   50    49 S   HO   _H15    67     0.97250   107.78660    19.71888
   51    44 S   PR   _P1_    69     1.62207   118.07164   136.25294
   52    51 S   OM   _O39    70     1.63989    97.73928  -177.06235
   53    51 S   OM   _O38    71     1.64109    98.12924   -77.83141
   54    45 S   CO   _C9_    46     1.54971   111.52457   -46.76038
   55    54 S   HC   _H6_    47     1.09649   110.08067   -71.35844
   56    54 S   NE   _N4_    48     1.45928   109.54256   169.45353
   57    56 S   H    _H9_    49     1.01370   118.33962   162.74787
   58    39 S   OS   _O33    63     1.43286   108.21930    68.70201
   59    56 S   CM   _C10    50     1.39687   123.46628   -38.04294
   60    59 S   CM   _C11    51     1.35663   116.59632    13.76941
   61    60 S   C    _C12    52     1.48434   119.10821  -178.28229
   62    61 S   O    _O34    53     1.22712   122.31752  -178.96637
   63    45 S   NE   _N8_    61     1.46215   112.16658    76.19526
   64    63 S   H    _H13    62     1.01582   119.67646    30.86584
   65    61 S   N    _N5_    54     1.37569   113.83916     0.24787
   66    65 S   H    _H10    55     1.01334   117.70815   179.73533
   67    65 S   CDX  _C13    56     1.37979   123.36142    -1.12848
   68    59 S   NI   _N6_    57     1.38112   120.69139  -165.54924
   69    67 S   NE   _N7_    58     1.36632   115.86870  -179.12419
   70    69 S   H    _H11    59     1.01369   120.39005  -179.92598
   71    69 S   H    _H12    60     1.01274   122.03131    -0.24945
  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
