* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    137    219     408
    1     0 S   NP   _N1_     1    29.50408    93.92250   -25.25248
    2     1 S   H    _HN1     2     1.02791   107.46553  -131.50081
    3     1 S   H    _H1_     3     1.02949    93.26093   -21.07619
    4     1 S   H    _H2_     4     1.02829    15.17595   134.50516
    5     1 S   CT   _CA1     5     1.50117   122.98251    95.89792
    6     5 S   HC   _HA1     6     1.09557   105.22515    69.34223
    7     5 S   CO3  _C1_     7     1.53839   112.50441   -51.07037
    8     7 S   O2Z  _O11     8     1.26384   115.00155   -39.57853
    9     7 S   O2Z  _O12     9     1.26229   114.99834   139.60828
   10     5 S   CT   _CB1    10     1.53051   107.43628  -172.40798
   11    10 S   HC   HB11    11     1.09838   109.68483   -47.13341
   12    10 S   HC   HB12    12     1.09768   110.23868    69.42633
   13    10 S   CT   _CG1    13     1.53018   112.62472  -167.93389
   14    13 S   HC   HG11    14     1.09552   110.86417   -62.38841
   15    13 S   HC   HG12    15     1.09645   109.68837    56.90346
   16    13 S   C    _CD1    16     1.51712   111.95582   177.82651
   17    16 S   O    _OE1    17     1.22759   123.10628    14.09785
   18    16 S   N    _N2_    18     1.38667   111.96612  -166.79498
   19    18 S   H    _HN2    19     1.01562   119.15511     3.52170
   20    18 S   CT1  _CA2    20     1.46112   123.19364  -179.20821
   21    20 S   HC   _HA2    21     1.09597   109.02624     8.95467
   22    20 S   C    _C2_    22     1.53635   109.73069  -106.40113
   23    22 S   O    _O2_    23     1.23104   121.99180  -152.02247
   24    20 S   CT   _CB2    32     1.53501   111.86596   130.80114
   25    24 S   HC   HB21    33     1.09662   109.53953    69.53245
   26    24 S   HC   HB22    34     1.09583   110.64672  -173.40115
   27    22 S   N    _N3_    24     1.38226   114.06187    35.36454
   28    27 S   H    _HN3    25     1.01539   119.63828    -3.27973
   29    24 S   S    _SG2    35     1.82789   115.11936   -50.00491
   30    27 S   CT   _CA3    26     1.45286   123.29255   177.14968
   31    30 S   HC   HA31    27     1.09548   107.51714   -64.51826
   32    30 S   HC   HA32    28     1.09554   107.99617    51.94479
   33    29 S   CT   _C18    36     1.82191   100.24495   -63.46408
   34    33 S   HC   _H19    37     1.09436   108.02319   -63.46799
   35    33 S   HC   _H20    38     1.09175   110.33619    53.50990
   36    30 S   CO3  _C3_    29     1.52980   114.02291   173.92217
   37    36 S   O2Z  _O31    30     1.26392   116.05509    -1.04042
   38    36 S   O2Z  _O32    31     1.26425   114.41590   179.02703
   39    33 S   CM   _C17    39     1.50263   109.97083   174.27388
   40    39 S   CMA  _C16    40     1.35006   127.36352   111.47830
   41    40 S   OM   _O35    41     1.26283   128.10733     0.86953
   42    40 S   OS   _O34    42     1.41989   109.53856  -179.92338
   43    42 S   CT   _C9_    43     1.44193   106.06729    16.66369
   44    43 S   HC   _H5_    44     1.10193   105.67529    86.35373
   45    39 S   CT   _C8_    45     1.50423   121.12255   -70.16911
   46    45 S   HC   _H4_    46     1.09657   110.53470    50.07071
   47    43 S   CT   _C10    63     1.54079   110.67256  -156.55853
   48    45 S   CT   _C7_    47     1.53825   112.05607   -71.69296
   49    48 S   HC   _H12    48     1.09707   108.66498    45.50289
   50    48 S   HC   _H13    49     1.09249   112.09294   -69.92880
   51    47 S   CT   _C15    64     1.54099   113.26460    29.18328
   52    51 S   HC   _H16    65     1.09008   112.90794    52.58633
   53    51 S   HC   _H17    66     1.09772   111.07100   -66.79862
   54    51 S   HC   _H18    67     1.09555   112.01810   175.23428
   55    48 S   CT   _C6_    50     1.53197   113.76122   162.86911
   56    55 S   HC   _H10    51     1.09796   108.28933  -163.95775
   57    55 S   HC   _H11    52     1.09819   108.12356   -50.34319
   58    55 S   CT   _C5_    53     1.53892   117.48478    72.52350
   59    58 S   HC   _H3_    54     1.10114   105.13826  -164.58685
   60    58 S   CT   _C11    55     1.53924   112.32163   -50.22437
   61    60 S   HC   _H6_    56     1.10309   105.26272   -53.10046
   62    58 S   CT   _C4_    68     1.52977   111.38221    83.18431
   63    62 S   HC   _H7_    69     1.09141   112.78614   -50.81685
   64    62 S   HC   _H8_    70     1.09397   111.77859  -174.09449
   65    62 S   HC   _H9_    71     1.09663   109.72272    67.39069
   66    60 S   CM   _C12    57     1.50645   115.08919  -166.56849
   67    66 S   HC   _H14    58     1.08224   122.84005    33.27748
   68    66 S   CM   _C13    59     1.33422   113.84333  -153.30726
   69    68 S   HC   _H15    60     1.07499   128.96751  -174.99469
   70    68 S   CO4  _C14    61     1.47375   105.25734     4.74062
   71    70 S   O    _O33    62     1.22210   122.40542  -169.56538
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  19   7  12   5  17   9
   5   4  10   4   3   2  11   5   4  11   7  11   5   4   2   1
   1   5   3   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    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    46    48  
   35    39    40    45  
   39    40    45  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    48    49    50    55    47  
   41    42    43    44    45    46    48    47  
   42    43    45  
   43    44    45    46    48    60    70    47    51  
   44    45    46    48    49    50    55    58    60    61    66    68    70    71    47    51    52    53    54  
   45    46    48    60    70    47    51  
   46    48    49    50    55    56    57    58    60    70    47    51  
   48    49    50    55    47  
   51    52    53    54    62    48    55    58    59    60    61    66    67    68    69    70    71  
   49    50    55    56    57    58    59    60    62  
   50    55    56    57    58  
   55    56    57    58  
   52    53    54    58    60    61    66    68    70    71  
   53    54    60    70  
   54    60    70  
   60    70  
   56    57    58    59    60    61    66    62    63    64    65  
   57    58    59    60    62  
   58    59    60    62  
   59    60    61    66    67    68    70    62    63    64    65  
   60    61    66    62    63    64    65  
   61    66    67    68    69    70    71    62    63    64    65  
   66    67    68    70    62  
   63    64    65    66  
   64    65  
   65  
    0  
   67    68    69    70    71  
   68    69    70  
   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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   317.000  1.510
   39    40   465.000  1.376
   39    45   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   268.000  1.529
   45    46   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    62   268.000  1.529
   60    61   340.000  1.090
   60    66   317.000  1.510
   60    47   268.000  1.529
   66    67   340.000  1.080
   66    68   549.000  1.340
   68    69   340.000  1.080
   68    70   320.000  1.462
   70    71   570.000  1.229
   70    47   317.000  1.522
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  112.20000
   33    39    40    70.00000  124.00000
   33    39    45    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    45    43    70.00000  112.02700
   39    45    46    35.00000  109.50000
   39    45    48    70.00000  112.02700
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    47    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    48    58.35000  112.70000
   43    47    60    58.35000  112.70000
   43    47    70    63.00000  111.10000
   43    47    51    58.35000  112.70000
   45    39    40    70.00000  124.00000
   45    43    44    37.50000  110.70000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    55    58.35000  112.70000
   48    45    46    37.50000  110.70000
   48    55    56    37.50000  110.70000
   48    55    57    37.50000  110.70000
   48    55    58    58.35000  112.70000
   50    48    49    33.00000  107.80000
   55    48    49    37.50000  110.70000
   55    48    50    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    60    58.35000  112.70000
   55    58    62    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    60    61    37.50000  110.70000
   58    60    66    70.00000  112.02700
   58    60    47    58.35000  112.70000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    65    37.50000  110.70000
   60    58    59    37.50000  110.70000
   60    66    67    35.00000  117.00000
   60    66    68    70.00000  124.00000
   60    47    70    63.00000  111.10000
   60    47    51    58.35000  112.70000
   66    60    61    35.00000  109.50000
   66    68    69    35.00000  120.00000
   66    68    70    65.00000  118.96000
   68    66    67    35.00000  120.00000
   68    70    71    80.00000  123.72100
   68    70    47    65.00000  118.62400
   70    68    69    40.00000  117.72500
   70    47    51    63.00000  111.10000
   47    43    44    37.50000  110.70000
   47    43    45    58.35000  112.70000
   47    60    61    37.50000  110.70000
   47    60    66    70.00000  112.02700
   47    70    71    80.00000  120.40000
   47    51    52    37.50000  110.70000
   47    51    53    37.50000  110.70000
   47    51    54    37.50000  110.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   62    58    59    37.50000  110.70000
   62    58    60    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    45   0.30250  1.0 1.0
   29    33    39    45  -0.14950 -1.0 2.0
   29    33    39    45   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    45    43   0.46850  1.0 1.0
   33    39    45    43   0.08550 -1.0 2.0
   33    39    45    43   0.09800  1.0 3.0
   33    39    45    46   0.34800  1.0 3.0
   33    39    45    48   0.46850  1.0 1.0
   33    39    45    48   0.08550 -1.0 2.0
   33    39    45    48   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    45   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    45   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   39    45    48    49   0.15000  1.0 3.0
   39    45    48    50   0.15000  1.0 3.0
   39    45    48    55   0.34400  1.0 1.0
   39    45    48    55   0.09450 -1.0 2.0
   39    45    48    55   0.11100  1.0 3.0
   40    39   -45    43   0.09850  1.0 1.0
   40    39   -45    43   0.15250 -1.0 2.0
   40    39   -45    43  -0.50650  1.0 3.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    48   0.09850  1.0 1.0
   40    39    45    48   0.15250 -1.0 2.0
   40    39    45    48  -0.50650  1.0 3.0
   40    42    43    44   0.08050  1.0 3.0
   40    42   -43    45  -0.46850  1.0 1.0
   40    42   -43    45   0.09300 -1.0 2.0
   40    42   -43    45  -0.12850  1.0 3.0
   40    42    43    47  -0.46850  1.0 1.0
   40    42    43    47   0.09300 -1.0 2.0
   40    42    43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43   -45    39   0.61850  1.0 1.0
   42    43   -45    39  -0.22750 -1.0 2.0
   42    43   -45    39   0.15300  1.0 3.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    48   0.62750  1.0 1.0
   42    43    45    48  -0.30950 -1.0 2.0
   42    43    45    48   0.27300  1.0 3.0
   42    43    47    60   0.62750  1.0 1.0
   42    43    47    60  -0.30950 -1.0 2.0
   42    43    47    60   0.27300  1.0 3.0
   42    43    47    70  -0.09450  1.0 1.0
   42    43    47    70  -1.12950 -1.0 2.0
   42    43    47    70   0.54000  1.0 3.0
   42    43    47    51   0.62750  1.0 1.0
   42    43    47    51  -0.30950 -1.0 2.0
   42    43    47    51   0.27300  1.0 3.0
   43    45    48    49   0.15000  1.0 3.0
   43    45    48    50   0.15000  1.0 3.0
   43    45    48    55   0.56750  1.0 1.0
   43    45    48    55  -0.07550 -1.0 2.0
   43    45    48    55   0.20000  1.0 3.0
   43    47    51    52   0.15000  1.0 3.0
   43    47    51    53   0.15000  1.0 3.0
   43    47    51    54   0.15000  1.0 3.0
   44    43    45    39   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    48   0.15000  1.0 3.0
   44    43    47    60   0.15000  1.0 3.0
   44    43    47    70  -0.11250  1.0 3.0
   44    43    47    51   0.15000  1.0 3.0
   45    39    40    41   7.00000 -1.0 2.0
   45    39   -40    42   7.00000 -1.0 2.0
   45    43    47    60   0.56750  1.0 1.0
   45    43    47    60  -0.07550 -1.0 2.0
   45    43    47    60   0.20000  1.0 3.0
   45    43    47    70  -0.95700  1.0 1.0
   45    43    47    70  -0.18200 -1.0 2.0
   45    43    47    70   0.29450  1.0 3.0
   45    43    47    51   0.56750  1.0 1.0
   45    43    47    51  -0.07550 -1.0 2.0
   45    43    47    51   0.20000  1.0 3.0
   45    48    55    56   0.15000  1.0 3.0
   45    48    55    57   0.15000  1.0 3.0
   45    48    55    58   0.56750  1.0 1.0
   45    48    55    58  -0.07550 -1.0 2.0
   45    48    55    58   0.20000  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    55   0.15000  1.0 3.0
   48    55    58    59   0.15000  1.0 3.0
   48    55    58    60   0.56750  1.0 1.0
   48    55    58    60  -0.07550 -1.0 2.0
   48    55    58    60   0.20000  1.0 3.0
   48    55    58    62   0.56750  1.0 1.0
   48    55    58    62  -0.07550 -1.0 2.0
   48    55    58    62   0.20000  1.0 3.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    57   0.15000  1.0 3.0
   49    48    55    58   0.15000  1.0 3.0
   50    48    55    56   0.15000  1.0 3.0
   50    48    55    57   0.15000  1.0 3.0
   50    48    55    58   0.15000  1.0 3.0
   55    58    60    61   0.15000  1.0 3.0
   55    58    60    66   0.34400  1.0 1.0
   55    58    60    66   0.09450 -1.0 2.0
   55    58    60    66   0.11100  1.0 3.0
   55    58    60    47   0.56750  1.0 1.0
   55    58    60    47  -0.07550 -1.0 2.0
   55    58    60    47   0.20000  1.0 3.0
   55    58    62    63   0.15000  1.0 3.0
   55    58    62    64   0.15000  1.0 3.0
   55    58    62    65   0.15000  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    62   0.15000  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    62   0.15000  1.0 3.0
   58    60    66    67   0.00000  1.0 1.0
   58    60    66    68   0.09850  1.0 1.0
   58    60    66    68   0.15250 -1.0 2.0
   58    60    66    68  -0.50650  1.0 3.0
   58    60    47    43   0.56750  1.0 1.0
   58    60    47    43  -0.07550 -1.0 2.0
   58    60    47    43   0.20000  1.0 3.0
   58    60    47    70  -0.95700  1.0 1.0
   58    60    47    70  -0.18200 -1.0 2.0
   58    60    47    70   0.29450  1.0 3.0
   58    60    47    51   0.56750  1.0 1.0
   58    60    47    51  -0.07550 -1.0 2.0
   58    60    47    51   0.20000  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    66   0.15000  1.0 3.0
   59    58    60    47   0.15000  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    64   0.15000  1.0 3.0
   59    58    62    65   0.15000  1.0 3.0
   60    58    62    63   0.15000  1.0 3.0
   60    58    62    64   0.15000  1.0 3.0
   60    58    62    65   0.15000  1.0 3.0
   60    66    68    69   7.00000 -1.0 2.0
   60    66   -68    70   7.00000 -1.0 2.0
   60    47    51    52   0.15000  1.0 3.0
   60    47    51    53   0.15000  1.0 3.0
   60    47    51    54   0.15000  1.0 3.0
   61    60    66    67   0.33100  1.0 3.0
   61    60    66    68   0.00000  1.0 1.0
   61    60    47    43   0.15000  1.0 3.0
   61    60    47    70  -0.11250  1.0 3.0
   61    60    47    51   0.15000  1.0 3.0
   66    60    47    43   0.34400  1.0 1.0
   66    60    47    43   0.09450 -1.0 2.0
   66    60    47    43   0.11100  1.0 3.0
   66    60   -47    70  -0.98800  1.0 1.0
   66    60   -47    70   0.48800 -1.0 2.0
   66    60   -47    70   0.76800  1.0 3.0
   66    60    47    51   0.34400  1.0 1.0
   66    60    47    51   0.09450 -1.0 2.0
   66    60    47    51   0.11100  1.0 3.0
   66    68    70    71   1.00000 -1.0 2.0
   66    68   -70    47  -0.33500  1.0 1.0
   66    68   -70    47   1.06600 -1.0 2.0
   66    68   -70    47  -0.14000  1.0 3.0
   67    66    68    69   7.00000 -1.0 2.0
   67    66    68    70   7.00000 -1.0 2.0
   68    70    47    43   0.65300  1.0 1.0
   68    70    47    43  -0.03850 -1.0 2.0
   68    70    47    43   0.33900  1.0 3.0
   68    70   -47    60   0.65300  1.0 1.0
   68    70   -47    60  -0.03850 -1.0 2.0
   68    70   -47    60   0.33900  1.0 3.0
   68    70    47    51   0.65300  1.0 1.0
   68    70    47    51  -0.03850 -1.0 2.0
   68    70    47    51   0.33900  1.0 3.0
   69    68    70    71   0.00000  1.0 1.0
   69    68    70    47   0.04550  1.0 1.0
   69    68    70    47   0.83000 -1.0 2.0
   69    68    70    47  -0.04000  1.0 3.0
   70    47    51    52  -0.11250  1.0 3.0
   70    47    51    53  -0.11250  1.0 3.0
   70    47    51    54  -0.11250  1.0 3.0
   71    70    47    43   0.30150 -1.0 2.0
   71    70    47    60   0.30150 -1.0 2.0
   71    70    47    51   0.30150 -1.0 2.0
   47    43    45    39   0.34400  1.0 1.0
   47    43    45    39   0.09450 -1.0 2.0
   47    43    45    39   0.11100  1.0 3.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    48   0.56750  1.0 1.0
   47    43    45    48  -0.07550 -1.0 2.0
   47    43    45    48   0.20000  1.0 3.0
   47    60    66    67   0.00000  1.0 1.0
   47    60   -66    68   0.09850  1.0 1.0
   47    60   -66    68   0.15250 -1.0 2.0
   47    60   -66    68  -0.50650  1.0 3.0
   62    58    60    61   0.15000  1.0 3.0
   62    58    60    66   0.34400  1.0 1.0
   62    58    60    66   0.09450 -1.0 2.0
   62    58    60    66   0.11100  1.0 3.0
   62    58    60    47   0.56750  1.0 1.0
   62    58    60    47  -0.07550 -1.0 2.0
   62    58    60    47   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   33    45    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   60    67    66    68   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   68    47    70    71  10.50000 -1.0 2.0
END
