* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    134    206     386
    1     0 S   NP   _N1_     1    28.71369    96.10370   -20.32566
    2     1 S   H    _HN1     2     1.02778    79.64999   -68.02345
    3     1 S   H    _H1_     3     1.02963    85.90517    41.46099
    4     1 S   H    _H2_     4     1.02837    43.42806   161.63559
    5     1 S   CT   _CA1     5     1.50114   153.88717   171.83398
    6     5 S   HC   _HA1     6     1.09572   105.25516    51.65623
    7     5 S   CO3  _C1_     7     1.53817   112.40592   -68.59180
    8     7 S   O2Z  _O11     8     1.26352   115.01360   -43.13188
    9     7 S   O2Z  _O12     9     1.26241   114.93820   136.13366
   10     5 S   CT   _CB1    10     1.53102   107.43261   169.60816
   11    10 S   HC   HB11    11     1.09817   109.39900   -50.51459
   12    10 S   HC   HB12    12     1.09827   110.37920    66.06490
   13    10 S   CT   _CG1    13     1.52983   112.64783  -171.66846
   14    13 S   HC   HG11    14     1.09572   110.30880   -61.48672
   15    13 S   HC   HG12    15     1.09634   110.14232    57.65685
   16    13 S   C    _CD1    16     1.51797   112.27800   177.89690
   17    16 S   O    _OE1    17     1.22714   123.25024   -10.74876
   18    16 S   N    _N2_    18     1.38573   111.61244   169.87251
   19    18 S   H    _HN2    19     1.01594   118.98293     1.02793
   20    18 S   CT1  _CA2    20     1.46198   123.50773  -177.81027
   21    20 S   HC   _HA2    21     1.09725   109.41519   -16.08178
   22    20 S   C    _C2_    22     1.53412   108.39509  -131.92085
   23    22 S   O    _O2_    23     1.23031   122.27648  -146.16362
   24    20 S   CT   _CB2    32     1.53345   111.14126   106.22074
   25    24 S   HC   HB21    33     1.09686   109.55405    52.64655
   26    24 S   HC   HB22    34     1.09531   110.53341   171.07808
   27    22 S   N    _N3_    24     1.38494   113.38617    41.30005
   28    27 S   H    _HN3    25     1.01529   118.95358    -0.53668
   29    24 S   S    _SG2    35     1.82680   111.95867   -69.26058
   30    27 S   CT   _CA3    26     1.45433   123.26764   174.91754
   31    30 S   HC   HA31    27     1.09539   109.08725    27.73004
   32    30 S   HC   HA32    28     1.09491   107.18378   144.72805
   33    29 S   CM   _C18    36     1.74474   100.75303   155.88446
   34    30 S   CO3  _C3_    29     1.52929   113.12049   -95.61223
   35    34 S   O2Z  _O31    30     1.26400   115.40155   -44.69841
   36    34 S   O2Z  _O32    31     1.26350   114.98204   136.18677
   37    33 S   CM   _C17    37     1.34624   120.47471    55.51776
   38    37 S   HC   _H17    38     1.08678   120.78350    -1.46380
   39    37 S   CT   _C8_    39     1.52043   121.96310   179.24050
   40    39 S   CT   _C9_    40     1.53195   112.76691  -159.51027
   41    40 S   HC   _H7_    41     1.09510   113.24377   159.12028
   42    40 S   HC   _H8_    42     1.09285   114.05408    31.86297
   43    39 S   CT   _C7_    64     1.57488   112.82251   -28.68359
   44    43 S   OM   _O36    65     1.32732   109.77805   -79.27603
   45    43 S   HC   _H3_    66     1.10169   104.71107   151.09505
   46    40 S   CD   _C10    43     1.48007    98.24988   -87.65697
   47    43 S   CM   _C6_    67     1.53368   110.12191    37.65753
   48    47 S   Br   Br1_    68     1.88464   114.77837   154.33720
   49    46 S   NI   _N4_    44     1.29047   116.18035   -18.38531
   50    46 S   C    _C11    46     1.49932   121.15765   162.74823
   51    50 S   O    _O35    47     1.22090   118.91510     2.62413
   52    33 S   CM   _C5_    69     1.46477   120.04272  -125.19423
   53    39 S   OS   _O34    45     1.45990   106.24379    88.86748
   54    50 S   N    _N5_    48     1.37704   113.36848  -176.38605
   55    54 S   H    _H9_    49     1.01648   118.78383    -0.96692
   56    52 S   OS   _O33    70     1.38557   116.88041    14.37174
   57    54 S   CT   _C12    50     1.45132   122.94407   176.71491
   58    57 S   HC   _H10    51     1.09538   107.24782   151.00625
   59    57 S   HC   _H11    52     1.09564   108.40324    34.42810
   60    56 S   CT   _C4_    71     1.42836   111.18351    88.82575
   61    60 S   HC   _H4_    72     1.09389   107.82246   179.52853
   62    60 S   HC   _H5_    73     1.09493   111.23112    61.12605
   63    60 S   HC   _H6_    74     1.09477   111.49752   -61.98126
   64    57 S   CT   _C13    53     1.52910   112.10300   -86.50107
   65    64 S   HC   _H12    54     1.09704   110.20280    56.17264
   66    64 S   HC   _H13    55     1.09686   108.83535   172.87310
   67    64 S   C5A  _C14    56     1.48886   112.26125   -66.80885
   68    67 S   C5B  _C15    57     1.37889   132.27681   -81.28550
   69    68 S   HA   _H14    58     1.08082   127.52718    -0.01978
   70    68 S   N5B  _N6_    59     1.37146   111.33124   179.81548
   71    70 S   CRA  _C16    60     1.31377   104.87211     0.22900
   72    71 S   HA   _H15    61     1.08092   126.02990   179.82868
   73    67 S   NA   _N7_    62     1.37242   123.31967    98.79276
   74    73 S   H    _H16    63     1.01137   126.36921     0.02798
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   7   5   4   3
  11   2   1   1  14   5  13  12   6   5   9   5   4   7   5   2
   4   8   3   5   1   8   4   4   8   5   4   3   2   1   1   9
   4   3   7   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    47    52    56  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    53    43    47    48    52    56    60  
   35    36  
   36  
    0  
   38    39    40    41    42    46    49    53    43    44    45    47    52    56  
   39    40    53    43    52  
   40    41    42    46    49    53    50    43    44    45    47    48    52  
   41    42    46    49    53    50    51    54    43    44    45    47  
   42    46    49    53    50    43  
   46    49    53    50    43  
   44    45    47    48    52    56    46    49    53  
   45    47    48    52    53  
   47    48    52    53  
   49    53    50    51    54    55    57  
   48    52    56    60    53  
   52    56  
   53    50    51    54  
   51    54    55    57    58    59    64    53  
   54    55    57  
   56    60    61    62    63  
    0  
   55    57    58    59    64    65    66    67  
   57    58    59    64  
   60    61    62    63  
   58    59    64    65    66    67    68    73  
   59    64    65    66    67  
   64    65    66    67  
   61    62    63  
   62    63  
   63  
    0  
   65    66    67    68    69    70    71    73    74  
   66    67    68    73  
   67    68    73  
   68    69    70    71    72    73    74  
   69    70    71    72    73    74  
   70    71    73  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    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  -0.175000   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   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660  -0.083900   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   45   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.353600   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5500   0.0760   0.179500   2.0020   1.7750   0.023028004  -0.852763146
   48   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   49   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   50   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   52   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   54   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   55   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   56   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.014000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.233000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.185000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.075000   1.3810   1.2100   0.030040813   0.268726247
   70   3.2500   0.1700  -0.563000   1.8000   1.6000   0.001000000  -0.511443539
   71   3.5500   0.0700   0.275000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.078000   1.3810   1.2100   0.030040813   0.268726247
   73   3.2500   0.1700  -0.257000   1.8000   1.6000   0.001000000  -0.511443539
   74   0.5000   0.0300   0.306000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   240.000  1.763
   33    37   549.000  1.340
   33    52   380.000  1.444
   37    38   340.000  1.080
   37    39   317.000  1.510
   39    40   268.000  1.529
   39    53   320.000  1.410
   39    43   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    46   270.000  1.508
   46    49   500.000  1.261
   46    50   270.000  1.486
   49    53   320.000  1.394
   50    51   570.000  1.229
   50    54   490.000  1.335
   54    55   434.000  1.010
   54    57   337.000  1.449
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   295.000  1.489
   67    68   520.000  1.370
   67    73   427.000  1.381
   68    69   367.000  1.080
   68    70   410.000  1.394
   70    71   488.000  1.335
   71    72   367.000  1.080
   71    73   477.000  1.343
   73    74   434.000  1.010
   43    44   570.000  1.307
   43    45   340.000  1.090
   43    47   317.000  1.510
   47    48   165.000  1.979
   47    52   549.000  1.340
   52    56   440.000  1.360
   56    60   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    52    65.00000  122.11800
   33    37    38    35.00000  120.00000
   33    37    39    70.00000  124.00000
   33    52    47    70.00000  123.01800
   33    52    56    80.00000  120.01400
   37    39    40    70.00000  112.02700
   37    39    53    85.00000  110.90400
   37    39    43    70.00000  112.02700
   39    37    38    35.00000  117.00000
   39    40    41    37.50000  110.70000
   39    40    42    37.50000  110.70000
   39    40    46    70.00000  111.76100
   39    53    49   110.00000  106.71400
   39    43    44    50.00000  109.50000
   39    43    45    37.50000  110.70000
   39    43    47    70.00000  112.02700
   40    46    49    65.00000  122.10100
   40    46    50    60.00000  116.68000
   42    40    41    33.00000  107.80000
   46    40    41    45.00000  109.49600
   46    40    42    45.00000  109.49600
   46    49    53   100.00000  109.52600
   46    50    51    80.00000  120.45000
   46    50    54    75.00000  109.57000
   53    39    40    50.00000  109.50000
   50    46    49    65.00000  123.79500
   50    54    55    35.00000  119.80000
   50    54    57    50.00000  121.90000
   54    50    51    80.00000  122.90000
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    64    70.00000  110.72300
   57    54    55    38.00000  118.40000
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    67    70.00000  113.44400
   59    57    58    33.00000  107.80000
   64    57    58    37.50000  110.70000
   64    57    59    37.50000  110.70000
   64    67    68    55.00000  130.44200
   64    67    73    65.00000  122.56900
   66    64    65    33.00000  107.80000
   67    64    65    45.00000  110.47400
   67    64    66    45.00000  110.47400
   67    68    69    35.00000  128.20000
   67    68    70    70.00000  111.00000
   67    73    71    70.00000  109.80000
   67    73    74    35.00000  120.00000
   68    70    71    70.00000  110.00000
   70    68    69    35.00000  120.00000
   70    71    72    35.00000  120.00000
   70    71    73    70.00000  120.00000
   71    73    74    35.00000  120.00000
   73    67    68    70.00000  106.30000
   73    71    72    35.00000  120.00000
   43    39    40    58.35000  112.70000
   43    39    53    50.00000  109.50000
   43    47    48    70.00000  111.14000
   43    47    52    70.00000  124.00000
   45    43    44    45.00000  125.66300
   47    43    44    85.00000  110.90400
   47    43    45    35.00000  109.50000
   47    52    56    80.00000  120.01400
   52    33    37    70.00000  123.01800
   52    47    48    65.00000  115.01300
   52    56    60    90.00000  111.18400
   56    60    61    35.00000  109.50000
   56    60    62    35.00000  109.50000
   56    60    63    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    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   0.00000  1.0 1.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   1.00000 -1.0 2.0
   24    29    33    52   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   7.00000 -1.0 2.0
   29    33    37    39   7.00000 -1.0 2.0
   29    33    52    47  -0.18600  1.0 3.0
   29    33    52    56   1.08500 -1.0 2.0
   33    37    39    40   0.09850  1.0 1.0
   33    37    39    40   0.15250 -1.0 2.0
   33    37    39    40  -0.50650  1.0 3.0
   33    37    39    53   0.39000  1.0 1.0
   33    37    39    53  -0.05800 -1.0 2.0
   33    37    39    53  -0.55150  1.0 3.0
   33    37    39    43   0.09850  1.0 1.0
   33    37    39    43   0.15250 -1.0 2.0
   33    37    39    43  -0.50650  1.0 3.0
   33    52    56    60  -2.26850  1.0 1.0
   33    52    56    60   3.39050 -1.0 2.0
   37    33    52    47   0.28850  1.0 1.0
   37    33    52    47   2.61350 -1.0 2.0
   37    33    52    47   0.78400  1.0 3.0
   37    33    52    56  -0.51250  1.0 1.0
   37    33    52    56   1.23350 -1.0 2.0
   37    39    40    41   0.15000  1.0 3.0
   37    39    40    42   0.15000  1.0 3.0
   37    39    40    46   0.31000  1.0 1.0
   37    39    40    46   0.14700 -1.0 2.0
   37    39    40    46   0.07550  1.0 3.0
   37    39    53    49   0.37500  1.0 3.0
   37    39    43    44   0.61850  1.0 1.0
   37    39    43    44  -0.22750 -1.0 2.0
   37    39    43    44   0.15300  1.0 3.0
   37    39    43    45   0.15000  1.0 3.0
   37    39   -43    47   0.31000  1.0 1.0
   37    39   -43    47   0.14700 -1.0 2.0
   37    39   -43    47   0.07550  1.0 3.0
   38    37    39    40   0.00000  1.0 1.0
   38    37    39    53   0.00000  1.0 1.0
   38    37    39    43   0.00000  1.0 1.0
   39    40   -46    49   0.00000  1.0 1.0
   39    40    46    50   0.00000  1.0 1.0
   39    43    47    48   0.09700  1.0 1.0
   39    43    47    48   0.15600 -1.0 2.0
   39    43    47    48  -0.50800  1.0 3.0
   39    43    47    52   0.09850  1.0 1.0
   39    43    47    52   0.15250 -1.0 2.0
   39    43    47    52  -0.50650  1.0 3.0
   40    39   -53    49   0.37500  1.0 3.0
   40    39    43    44   0.62750  1.0 1.0
   40    39    43    44  -0.30950 -1.0 2.0
   40    39    43    44   0.27300  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    47   0.34400  1.0 1.0
   40    39    43    47   0.09450 -1.0 2.0
   40    39    43    47   0.11100  1.0 3.0
   40    46   -49    53   6.00000 -1.0 2.0
   40    46    50    51   1.00000 -1.0 2.0
   40    46    50    54   1.50000 -1.0 2.0
   41    40    46    49   0.00000  1.0 1.0
   41    40    46    50   0.00000  1.0 1.0
   42    40    46    49   0.00000  1.0 1.0
   42    40    46    50   0.00000  1.0 1.0
   46    49   -53    39   1.50000 -1.0 2.0
   46    50    54    55   2.56700 -1.0 2.0
   46    50    54    57   1.49850  1.0 1.0
   46    50    54    57   1.53950 -1.0 2.0
   49    46    50    51   1.00000 -1.0 2.0
   49    46    50    54   1.50000 -1.0 2.0
   53    39    40    41   0.23400  1.0 3.0
   53    39    40    42   0.23400  1.0 3.0
   53    39   -40    46   0.61850  1.0 1.0
   53    39   -40    46  -0.22750 -1.0 2.0
   53    39   -40    46   0.15300  1.0 3.0
   53    39    43    44   1.11900  1.0 1.0
   53    39    43    44  -1.16350 -1.0 2.0
   53    39    43    44  -0.34150  1.0 3.0
   53    39    43    45   0.23400  1.0 3.0
   53    39    43    47   0.61850  1.0 1.0
   53    39    43    47  -0.22750 -1.0 2.0
   53    39    43    47   0.15300  1.0 3.0
   50    46    49    53   6.00000 -1.0 2.0
   50    54    57    58   0.00000  1.0 1.0
   50    54    57    59   0.00000  1.0 1.0
   50    54    57    64  -0.43950  1.0 1.0
   50    54    57    64  -0.08100 -1.0 2.0
   50    54    57    64   0.03350  1.0 3.0
   51    50    54    55   2.45000 -1.0 2.0
   51    50    54    57   3.04450 -1.0 2.0
   54    57    64    65   0.15000  1.0 3.0
   54    57    64    66   0.15000  1.0 3.0
   54    57    64    67   0.08550  1.0 1.0
   54    57    64    67   1.07500 -1.0 2.0
   54    57    64    67  -0.10950  1.0 3.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    59   0.00000  1.0 1.0
   55    54    57    64   0.00000  1.0 1.0
   57    64    67    68   0.04150 -1.0 2.0
   57    64    67    73   0.39850  1.0 1.0
   57    64    67    73   0.06450 -1.0 2.0
   57    64    67    73   0.32400  1.0 3.0
   58    57    64    65   0.15000  1.0 3.0
   58    57    64    66   0.15000  1.0 3.0
   58    57    64    67   0.43200  1.0 3.0
   59    57    64    65   0.15000  1.0 3.0
   59    57    64    66   0.15000  1.0 3.0
   59    57    64    67   0.43200  1.0 3.0
   64    67    68    69   3.62500 -1.0 2.0
   64    67    68    70   3.62500 -1.0 2.0
   64    67    73    71   3.62500 -1.0 2.0
   64    67    73    74   2.00000 -1.0 2.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    73   0.00000  1.0 1.0
   66    64    67    68   0.00000  1.0 1.0
   66    64    67    73   0.00000  1.0 1.0
   67    68   -70    71   2.40000 -1.0 2.0
   68    67   -73    71   1.40000 -1.0 2.0
   68    67    73    74   1.40000 -1.0 2.0
   68    70    71    72   5.00000 -1.0 2.0
   68    70   -71    73   5.00000 -1.0 2.0
   69    68    70    71   2.40000 -1.0 2.0
   70    71   -73    67   2.32500 -1.0 2.0
   70    71    73    74   2.32500 -1.0 2.0
   72    71    73    67   2.32500 -1.0 2.0
   72    71    73    74   2.32500 -1.0 2.0
   73    67    68    69   5.37500 -1.0 2.0
   73    67   -68    70   5.37500 -1.0 2.0
   43    39    40    41   0.15000  1.0 3.0
   43    39    40    42   0.15000  1.0 3.0
   43    39    40    46   0.34400  1.0 1.0
   43    39    40    46   0.09450 -1.0 2.0
   43    39    40    46   0.11100  1.0 3.0
   43    39    53    49   0.37500  1.0 3.0
   43    47   -52    33   7.00000 -1.0 2.0
   43    47    52    56   7.00000 -1.0 2.0
   44    43    47    48   0.09700  1.0 1.0
   44    43    47    48   0.15600 -1.0 2.0
   44    43    47    48  -0.50800  1.0 3.0
   44    43    47    52   0.39000  1.0 1.0
   44    43    47    52  -0.05800 -1.0 2.0
   44    43    47    52  -0.55150  1.0 3.0
   45    43    47    48   0.00000  1.0 1.0
   45    43    47    52   0.00000  1.0 1.0
   47    52    56    60  -2.26850  1.0 1.0
   47    52    56    60   3.39050 -1.0 2.0
   48    47    52    33   7.00000 -1.0 2.0
   48    47    52    56   7.00000 -1.0 2.0
   52    33    37    38   7.00000 -1.0 2.0
   52    33   -37    39   7.00000 -1.0 2.0
   52    56    60    61   0.08050  1.0 3.0
   52    56    60    62   0.08050  1.0 3.0
   52    56    60    63   0.08050  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   29    52    33    37   1.10000 -1.0 2.0
   39    38    37    33   1.10000 -1.0 2.0
   40    50    46    49  10.50000 -1.0 2.0
   46    54    50    51  10.50000 -1.0 2.0
   55    50    54    57   1.00000 -1.0 2.0
   68    73    67    64   4.00000 -1.0 2.0
   70    69    68    67   1.10000 -1.0 2.0
   73    72    71    70   1.10000 -1.0 2.0
   74    67    73    71   1.00000 -1.0 2.0
   43    48    47    52   1.10000 -1.0 2.0
   33    56    52    47   1.10000 -1.0 2.0
END
