* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    129    206     385
    1     0 S   NP   _N1_     1    28.70824    94.95790   -20.22212
    2     1 S   H    _HN1     2     1.02782    87.36046   -70.56850
    3     1 S   H    _H1_     3     1.02944    90.39706    37.76260
    4     1 S   H    _H2_     4     1.02834    32.85887   159.79437
    5     1 S   CT   _CA1     5     1.50244   143.52650   164.36265
    6     5 S   HC   _HA1     6     1.09576   105.06388    56.75464
    7     5 S   CO3  _C1_     7     1.53818   112.28568   -63.11156
    8     7 S   O2Z  _O11     8     1.26472   115.08277   -40.96808
    9     7 S   O2Z  _O12     9     1.26215   114.93873   137.76693
   10     5 S   CT   _CB1    10     1.53109   107.31672   174.51431
   11    10 S   HC   HB11    11     1.09819   109.16393   -47.99333
   12    10 S   HC   HB12    12     1.09823   110.42953    68.49092
   13    10 S   CT   _CG1    13     1.53104   112.94930  -169.11273
   14    13 S   HC   HG11    14     1.09442   110.39624   -64.64033
   15    13 S   HC   HG12    15     1.09645   110.09273    54.39629
   16    13 S   C    _CD1    16     1.51971   112.11504   174.06258
   17    16 S   O    _OE1    17     1.22778   122.98682   -12.41111
   18    16 S   N    _N2_    18     1.38678   112.08541   169.01427
   19    18 S   H    _HN2    19     1.01585   119.06531    -0.83039
   20    18 S   CT1  _CA2    20     1.46415   123.25244   178.53033
   21    20 S   HC   _HA2    21     1.09752   109.18154   -12.05231
   22    20 S   C    _C2_    22     1.53476   108.42412  -127.44461
   23    22 S   O    _O2_    23     1.23022   122.19920  -147.28396
   24    20 S   CT   _CB2    32     1.53673   112.01525   109.99647
   25    24 S   HC   HB21    33     1.09330   109.37104    56.86203
   26    24 S   HC   HB22    34     1.09494   110.10890   175.75287
   27    22 S   N    _N3_    24     1.38496   113.41444    40.16002
   28    27 S   H    _HN3    25     1.01527   118.88999    -0.86547
   29    24 S   S    _SG2    35     1.82400   111.23793   -64.34868
   30    27 S   CT   _CA3    26     1.45463   123.60126   175.14465
   31    30 S   HC   HA31    27     1.09512   109.39553    20.82464
   32    30 S   HC   HA32    28     1.09500   107.06999   137.85725
   33    29 S   CT   _C6_    36     1.85506   101.23684  -172.01640
   34    33 S   HC   _H4_    37     1.09696   106.76052    40.45659
   35    30 S   CO3  _C3_    29     1.52924   113.06152  -102.76805
   36    35 S   O2Z  _O31    30     1.26408   115.40503   -44.08665
   37    35 S   O2Z  _O32    31     1.26355   114.98572   136.84167
   38    33 S   CT   _C5_    38     1.54935   110.00666   157.45282
   39    38 S   HC   _H3_    39     1.09847   109.86256  -177.27681
   40    38 S   OS   _O33    40     1.43418   109.71205    64.82028
   41    38 S   CT   _C4_    65     1.53626   114.13084   -56.99957
   42    41 S   HC   _H7_    66     1.09676   110.97982    77.73678
   43    41 S   HC   _H8_    67     1.09753   109.60715   -44.12023
   44    40 S   CO   _C9_    41     1.42957   114.10902    64.33078
   45    44 S   HC   _H6_    42     1.09654   107.72948    65.53579
   46    41 S   OS   _O37    68     1.43095   107.78383  -163.35916
   47    44 S   CT   _C8_    43     1.55392   112.75930   -55.49140
   48    47 S   HC   _H5_    44     1.09857   107.76291   165.28848
   49    46 S   PR   _P1_    69     1.62154   116.31422   173.26949
   50    49 S   OM   _O39    70     1.64122    98.04844    90.33355
   51    49 S   OM   _O38    71     1.64106    97.74799  -170.42915
   52    33 S   CT   _C7_    45     1.54933   114.61528   -80.95708
   53    47 S   NE   _N8_    50     1.45922   110.19183   -79.54880
   54    53 S   H    _H13    51     1.01539   120.07246   155.84720
   55    52 S   OH   _O35    46     1.42308   110.84126    55.88152
   56    55 S   HO   _H14    47     0.97166   107.96927  -159.22249
   57    52 S   OH   _O36    48     1.43757   106.06958   171.04656
   58    57 S   HO   _H15    49     0.97146   108.26737   164.61874
   59    53 S   CM   _C11    52     1.37656   122.44444   -29.06578
   60    59 S   CM   _C10    53     1.35475   123.14409     6.53120
   61    60 S   NI   _N6_    54     1.38168   122.49165  -179.15721
   62    44 S   NE   _N4_    63     1.46107   108.45836  -177.30463
   63    62 S   H    _H9_    64     1.01431   117.83907   -71.64616
   64    61 S   CDX  _C13    55     1.30193   118.81175    -2.76329
   65    64 S   N    _N5_    56     1.37973   122.14679     1.25367
   66    65 S   H    _H10    57     1.01699   119.13181  -178.94094
   67    64 S   NE   _N7_    60     1.36609   122.17807  -178.79667
   68    67 S   H    _H11    61     1.01339   120.56954     0.12354
   69    67 S   H    _H12    62     1.01332   121.66766   179.57803
   70    59 S   C    _C12    58     1.48231   117.49026  -174.35764
   71    70 S   O    _O34    59     1.22705   121.82015     1.57197
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   8   2   1   1  14   7  13   8   3   2  13   7   3  13   7
   2   1   1   8  10   3   3   1   1   1   9   8   9   3   1   7
   6   3   3   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    52    55    57    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    47    48    52    55    56    57    58    53    41    42    43    46  
   38    39    40    47    52    55    57    41  
   36    37  
   37  
    0  
   39    40    44    45    47    52    55    57    62    41    42    43    46    49  
   40    44    52    41    42    43    46  
   44    45    47    48    52    53    60    62    63    41    42    43    46  
   42    43    46    49    50    51    44    52  
   43    46    49  
   46    49  
   45    47    48    52    55    57    53    54    59    60    61    62    63  
   47    48    52    53    60    62    63  
   49    50    51  
   48    52    55    56    57    58    53    54    59    60    70    62    63  
   52    55    57    53    54    59    62  
   50    51  
   51  
    0  
   55    56    57    58    53    54    59    62  
   54    59    60    61    65    70    71    62    55    57  
   59    60    70  
   56    57    58  
   57  
   58  
    0  
   60    61    64    65    66    70    71    62    63  
   61    64    65    70    71    67    62    63  
   64    65    66    70    67    68    69    62    63  
   63    64    70  
    0  
   65    66    70    71    67    68    69  
   66    70    71    67    68    69  
   70    71    67  
   68    69    70  
   69  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.100000   1.4250   1.2500   0.008598240   0.268726247
   46   2.9000   0.1400  -1.312500   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660   0.175300   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7400   0.2000   0.937500   2.1070   1.8700   0.005000000   0.000000000
   50   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   51   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   52   3.5000   0.0660   0.530000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.2500   0.1700  -0.607000   2.1120   1.8750   0.051222218  -2.220205820
   54   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0760  -0.038700   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760   0.140500   2.0020   1.7750   0.023028004  -0.852763146
   61   3.2800   0.1700  -0.481500   1.9250   1.7000   0.054801302  -2.445846770
   62   3.2500   0.1700  -0.494200   2.1120   1.8750   0.051222218  -2.220205820
   63   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   64   3.7500   0.1050   0.546500   2.1120   1.8750   0.001000000  -0.126889456
   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   3.2500   0.1700  -0.785000   2.1120   1.8750   0.051222218  -2.220205820
   68   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   69   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    52   268.000  1.529
   38    39   340.000  1.090
   38    40   320.000  1.410
   38    41   268.000  1.529
   40    44   320.000  1.380
   44    45   340.000  1.090
   44    47   250.000  1.527
   44    62   320.000  1.442
   47    48   340.000  1.090
   47    52   268.000  1.529
   47    53   382.000  1.448
   52    55   320.000  1.410
   52    57   320.000  1.410
   55    56   553.000  0.945
   57    58   553.000  0.945
   53    54   434.000  1.010
   53    59   425.000  1.378
   59    60   549.000  1.340
   59    70   410.000  1.444
   60    61   405.000  1.380
   60    62   425.000  1.378
   61    64   650.000  1.285
   64    65   400.000  1.380
   64    67   445.000  1.380
   65    66   434.000  1.010
   65    70   490.000  1.335
   70    71   570.000  1.229
   67    68   434.000  1.010
   67    69   434.000  1.010
   62    63   434.000  1.010
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   320.000  1.410
   46    49   325.000  1.672
   49    50   325.000  1.672
   49    51   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    52    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    50.00000  109.50000
   33    38    41    58.35000  112.70000
   33    52    47    58.35000  112.70000
   33    52    55    50.00000  109.50000
   33    52    57    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    44    60.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    46    50.00000  109.50000
   40    38    39    35.00000  109.50000
   40    44    45    35.00000  109.50000
   40    44    47    90.00000  108.56700
   40    44    62    95.00000  112.71300
   44    47    48    45.00000  108.72000
   44    47    52    75.00000  109.43000
   44    47    53    80.00000  111.61500
   44    62    60    50.00000  121.00000
   44    62    63    50.00000  113.12000
   47    44    45    45.00000  112.01100
   47    52    55    50.00000  109.50000
   47    52    57    50.00000  109.50000
   47    53    54    35.00000  112.50000
   47    53    59    50.00000  121.00000
   52    33    34    37.50000  110.70000
   52    33    38    58.35000  112.70000
   52    47    48    37.50000  110.70000
   52    55    56    55.00000  108.50000
   52    57    58    55.00000  108.50000
   57    52    55   115.00000  113.08500
   53    47    48    35.00000  109.50000
   53    47    52    80.00000  111.61500
   53    59    60    70.00000  124.03900
   53    59    70    70.00000  117.92000
   59    53    54    35.00000  114.50000
   59    60    61    70.00000  120.83400
   59    60    62    70.00000  124.03900
   59    70    65    80.00000  111.56200
   59    70    71    80.00000  125.30000
   60    61    64    70.00000  116.49400
   60    62    63    35.00000  114.50000
   61    64    65    80.00000  119.04400
   61    64    67    75.00000  124.36500
   64    65    66    45.00000  120.05200
   64    65    70    70.00000  120.51600
   64    67    68    35.00000  119.50000
   64    67    69    35.00000  119.50000
   65    70    71    80.00000  122.90000
   70    59    60    70.00000  118.70000
   70    65    66    35.00000  119.80000
   67    64    65    85.00000  111.44000
   69    67    68    35.00000  109.00000
   62    44    45    50.00000  108.16000
   62    44    47    85.00000  109.98000
   62    60    61    85.00000  113.56000
   41    38    39    37.50000  110.70000
   41    38    40    50.00000  109.50000
   41    46    49   100.00000  120.50000
   43    41    42    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    35.00000  109.50000
   46    49    50    45.00000  102.60000
   46    49    51    45.00000  102.60000
   51    49    50    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    52    47   0.44750  1.0 1.0
   29    33    52    47  -0.17800 -1.0 2.0
   29    33    52    47   0.20200  1.0 3.0
   29    33    52    55   0.56750  1.0 1.0
   29    33    52    55  -0.07550 -1.0 2.0
   29    33    52    55   0.20000  1.0 3.0
   29    33    52    57   0.56750  1.0 1.0
   29    33    52    57  -0.07550 -1.0 2.0
   29    33    52    57   0.20000  1.0 3.0
   33    38    40    44   0.06250  1.0 1.0
   33    38    40    44  -0.01100 -1.0 2.0
   33    38    40    44   0.28050  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    46   0.62750  1.0 1.0
   33    38    41    46  -0.30950 -1.0 2.0
   33    38    41    46   0.27300  1.0 3.0
   33    52    55    56  -0.11600  1.0 1.0
   33    52    55    56  -0.09450 -1.0 2.0
   33    52    55    56   0.21250  1.0 3.0
   33    52    57    58  -0.11600  1.0 1.0
   33    52    57    58  -0.09450 -1.0 2.0
   33    52    57    58   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    52    47   0.15000  1.0 3.0
   34    33    52    55   0.23400  1.0 3.0
   34    33    52    57   0.23400  1.0 3.0
   38    33    52    47   0.56750  1.0 1.0
   38    33    52    47  -0.07550 -1.0 2.0
   38    33    52    47   0.20000  1.0 3.0
   38    33    52    55   0.86500  1.0 1.0
   38    33    52    55  -0.17500 -1.0 2.0
   38    33    52    55   0.20800  1.0 3.0
   38    33    52    57   0.86500  1.0 1.0
   38    33    52    57  -0.17500 -1.0 2.0
   38    33    52    57   0.20800  1.0 3.0
   38    40    44    45   0.37050  1.0 3.0
   38    40   -44    47   0.06250  1.0 1.0
   38    40   -44    47  -0.01100 -1.0 2.0
   38    40   -44    47   0.28050  1.0 3.0
   38    40    44    62  -0.25000  1.0 1.0
   38    40    44    62  -0.75000 -1.0 2.0
   38    40    44    62   0.50000  1.0 3.0
   38    41    46    49  -2.65550  1.0 1.0
   38    41    46    49  -0.22350 -1.0 2.0
   38    41    46    49   0.24150  1.0 3.0
   39    38    40    44   0.37050  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    46   0.23400  1.0 3.0
   40    38    41    42   0.23400  1.0 3.0
   40    38    41    43   0.23400  1.0 3.0
   40    38    41    46   1.11900  1.0 1.0
   40    38    41    46  -1.16350 -1.0 2.0
   40    38    41    46  -0.34150  1.0 3.0
   40    44    47    48   0.23400  1.0 3.0
   40    44    47    52   0.62750  1.0 1.0
   40    44    47    52  -0.30950 -1.0 2.0
   40    44    47    52   0.27300  1.0 3.0
   40    44    47    53   2.03850  1.0 1.0
   40    44    47    53  -0.40600 -1.0 2.0
   40    44    62    60   0.75000  1.0 1.0
   40    44    62    60  -0.75000 -1.0 2.0
   40    44    62    63  -1.49000  1.0 1.0
   40    44    62    63  -2.58450 -1.0 2.0
   44    47   -52    33   3.97050  1.0 1.0
   44    47    52    55   0.86500  1.0 1.0
   44    47    52    55  -0.17500 -1.0 2.0
   44    47    52    55   0.20800  1.0 3.0
   44    47    52    57   0.86500  1.0 1.0
   44    47    52    57  -0.17500 -1.0 2.0
   44    47    52    57   0.20800  1.0 3.0
   44    47    53    54   0.00000  1.0 1.0
   44    47    53    59   0.25450  1.0 1.0
   44    47    53    59  -0.61700 -1.0 2.0
   44    47    53    59  -0.23550  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    52   0.15000  1.0 3.0
   45    44    47    53   0.22950  1.0 3.0
   45    44    62    60   0.00000  1.0 1.0
   45    44    62    63   0.00000  1.0 1.0
   47    44    62    60   0.25450  1.0 1.0
   47    44    62    60  -0.61700 -1.0 2.0
   47    44    62    60  -0.23550  1.0 3.0
   47    44    62    63   0.00000  1.0 1.0
   47    52    55    56  -0.11600  1.0 1.0
   47    52    55    56  -0.09450 -1.0 2.0
   47    52    55    56   0.21250  1.0 3.0
   47    52    57    58  -0.11600  1.0 1.0
   47    52    57    58  -0.09450 -1.0 2.0
   47    52    57    58   0.21250  1.0 3.0
   47    53   -59    60  -0.54700  1.0 1.0
   47    53   -59    60   1.23000 -1.0 2.0
   47    53    59    70   1.00000 -1.0 2.0
   48    47    52    33   0.15000  1.0 3.0
   48    47    52    55   0.23400  1.0 3.0
   48    47    52    57   0.23400  1.0 3.0
   48    47    53    54   0.00000  1.0 1.0
   48    47    53    59   0.00000  1.0 1.0
   52    33    38    39   0.15000  1.0 3.0
   52    33   -38    40   0.62750  1.0 1.0
   52    33   -38    40  -0.30950 -1.0 2.0
   52    33   -38    40   0.27300  1.0 3.0
   52    33    38    41   0.56750  1.0 1.0
   52    33    38    41  -0.07550 -1.0 2.0
   52    33    38    41   0.20000  1.0 3.0
   52    47    53    54   0.00000  1.0 1.0
   52    47    53    59   0.25450  1.0 1.0
   52    47    53    59  -0.61700 -1.0 2.0
   52    47    53    59  -0.23550  1.0 3.0
   55    52    57    58   0.13450  1.0 1.0
   55    52    57    58  -0.58300 -1.0 2.0
   55    52    57    58   0.14300  1.0 3.0
   57    52    55    56   0.13450  1.0 1.0
   57    52    55    56  -0.58300 -1.0 2.0
   57    52    55    56   0.14300  1.0 3.0
   53    47    52    33   1.26750  1.0 1.0
   53    47    52    33  -0.00950 -1.0 2.0
   53    47    52    33   0.30600  1.0 3.0
   53    47    52    55   4.07950  1.0 1.0
   53    47    52    55  -0.26450 -1.0 2.0
   53    47    52    55  -0.12150  1.0 3.0
   53    47    52    57   4.07950  1.0 1.0
   53    47    52    57  -0.26450 -1.0 2.0
   53    47    52    57  -0.12150  1.0 3.0
   53    59    60    61   7.00000 -1.0 2.0
   53    59    60    62   7.00000 -1.0 2.0
   53    59    70    65   1.50000 -1.0 2.0
   53    59    70    71  -0.52200  1.0 1.0
   53    59    70    71   0.82950 -1.0 2.0
   54    53    59    60   1.00000 -1.0 2.0
   54    53    59    70   1.00000 -1.0 2.0
   59    60    61    64   1.00000 -1.0 2.0
   59    60   -62    44  -0.54700  1.0 1.0
   59    60   -62    44   1.23000 -1.0 2.0
   59    60    62    63   1.00000 -1.0 2.0
   60    59    70    65   0.49500  1.0 1.0
   60    59    70    65   1.31600 -1.0 2.0
   60    59    70    65  -0.02300  1.0 3.0
   60    59    70    71   1.00000 -1.0 2.0
   60    61   -64    65   6.00000 -1.0 2.0
   60    61    64    67   6.00000 -1.0 2.0
   61    60    62    44   1.00000 -1.0 2.0
   61    60    62    63   1.00000 -1.0 2.0
   61    64    65    66   1.00000 -1.0 2.0
   61    64    65    70  -0.56400  1.0 1.0
   61    64    65    70   0.77500 -1.0 2.0
   61    64    65    70   0.18700  1.0 3.0
   61    64    67    68   1.50000 -1.0 2.0
   61    64    67    69   1.50000 -1.0 2.0
   64    65   -70    59   2.45000 -1.0 2.0
   64    65    70    71   2.67200 -1.0 2.0
   65    64    67    68   1.00000 -1.0 2.0
   65    64    67    69   1.00000 -1.0 2.0
   66    65    70    59   2.56700 -1.0 2.0
   66    65    70    71   2.45000 -1.0 2.0
   70    59   -60    61   7.00000 -1.0 2.0
   70    59    60    62   7.00000 -1.0 2.0
   67    64    65    66   1.00000 -1.0 2.0
   67    64    65    70  -0.56400  1.0 1.0
   67    64    65    70   0.77500 -1.0 2.0
   67    64    65    70   0.18700  1.0 3.0
   62    44    47    48   0.22950  1.0 3.0
   62    44    47    52   1.26750  1.0 1.0
   62    44    47    52  -0.00950 -1.0 2.0
   62    44    47    52   0.30600  1.0 3.0
   62    44   -47    53   2.20050  1.0 1.0
   62    44   -47    53   0.63450 -1.0 2.0
   62    44   -47    53  -0.91300  1.0 3.0
   62    60    61    64   1.00000 -1.0 2.0
   41    38    40    44   0.06250  1.0 1.0
   41    38    40    44  -0.01100 -1.0 2.0
   41    38    40    44   0.28050  1.0 3.0
   41    46    49    50   0.05050  1.0 1.0
   41    46    49    50  -1.30700 -1.0 2.0
   41    46    49    50   0.91550  1.0 3.0
   41    46    49    51   0.05050  1.0 1.0
   41    46    49    51  -1.30700 -1.0 2.0
   41    46    49    51   0.91550  1.0 3.0
   42    41    46    49   0.03000  1.0 3.0
   43    41    46    49   0.03000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   54    59    53    47   1.00000 -1.0 2.0
   53    70    59    60   1.10000 -1.0 2.0
   61    62    60    59   1.10000 -1.0 2.0
   65    67    64    61  10.50000 -1.0 2.0
   66    64    65    70   1.00000 -1.0 2.0
   59    65    70    71  10.50000 -1.0 2.0
   69    64    67    68   1.00000 -1.0 2.0
   63    60    62    44   1.00000 -1.0 2.0
END
