* LIGAND DATABASE FILE (OPLS2005)
*
001      73    73    130    185     379
    1     0 S   NP   _N1_     1    30.35616    91.95265   -18.34126
    2     1 S   H    _HN1     2     1.03627   133.65002    88.91294
    3     1 S   H    _H1_     3     1.02813    26.59821   100.17603
    4     1 S   H    _H2_     4     1.02733    92.32299   -27.53459
    5     1 S   CT   _CA1     5     1.50260    99.24357  -140.28596
    6     5 S   HC   _HA1     6     1.09641   105.14134    42.31359
    7     5 S   CO3  _C1_     7     1.54202   111.13081   -75.61618
    8     7 S   O2Z  _O11     8     1.26267   116.20769   -92.11112
    9     7 S   O2Z  _O12     9     1.26428   114.16997    86.14807
   10     5 S   CT   _CB1    10     1.52829   106.76714   158.82568
   11    10 S   HC   HB11    11     1.09863   109.87951   -48.96718
   12    10 S   HC   HB12    12     1.09658   109.88283    66.92322
   13    10 S   CT   _CG1    13     1.53001   113.10505  -170.07574
   14    13 S   HC   HG11    14     1.09527   111.75687   -52.83104
   15    13 S   HC   HG12    15     1.09553   110.77374    66.80785
   16    13 S   C    _CD1    16     1.51357   108.94961  -173.50919
   17    16 S   O    _OE1    17     1.22779   121.95678   -96.51966
   18    16 S   N    _N2_    18     1.38468   112.43916    80.85687
   19    18 S   H    _HN2    19     1.01610   118.95976     7.50376
   20    18 S   CT1  _CA2    20     1.46091   123.56626  -170.69606
   21    20 S   HC   _HA2    21     1.09742   109.00904     9.58037
   22    20 S   C    _C2_    22     1.53448   109.97703  -106.76317
   23    22 S   O    _O2_    23     1.23130   122.04934  -148.87826
   24    20 S   CT   _CB2    32     1.53602   110.96609   130.62866
   25    24 S   HC   HB21    33     1.09610   109.75701    61.32609
   26    24 S   HC   HB22    34     1.09403   109.99802  -179.93744
   27    22 S   N    _N3_    24     1.38282   114.14184    38.73381
   28    27 S   H    _HN3    25     1.01581   119.76951    -3.55919
   29    24 S   S    _SG2    35     1.82860   111.79785   -59.00255
   30    27 S   CT   _CA3    26     1.45315   122.82635   176.72960
   31    30 S   HC   HA31    27     1.09564   107.54158   -62.25386
   32    30 S   HC   HA32    28     1.09567   107.86590    54.06054
   33    29 S   CT   _C8_    36     1.85068    99.65316   175.76955
   34    33 S   HC   _H7_    37     1.09626   106.73052   -23.51495
   35    30 S   CO3  _C3_    29     1.52876   114.39016   176.03163
   36    35 S   O2Z  _O31    30     1.26322   116.14082    -1.37814
   37    35 S   O2Z  _O32    31     1.26452   114.36507   178.67929
   38    33 S   CT   _C9_    38     1.54268   109.47277    96.29434
   39    38 S   HC   _H8_    39     1.09826   109.53988    53.52251
   40    38 S   CT   _C4_    40     1.53967   111.76116   173.86157
   41    40 S   HC   _H3_    41     1.09567   108.74097  -175.22517
   42    38 S   OS   _O33    68     1.42929   109.45742   -66.34951
   43    40 S   CT   _C5_    42     1.53680   111.44733   -53.74280
   44    43 S   HC   _H4_    43     1.09521   109.04079   175.96648
   45    40 S   OH   _O49    66     1.42951   109.10396    68.75978
   46    45 S   HO   _H13    67     0.97514   108.18337  -164.08828
   47    42 S   P2   _P1_    69     1.62929   119.30556   135.25933
   48    47 S   O2Z  _O36    70     1.51146   109.45473   -68.17893
   49    47 S   O2Z  _O34    71     1.51064   109.74142    67.10084
   50    43 S   CT   _C6_    44     1.53706   111.85920    55.21869
   51    50 S   HC   _H5_    45     1.09530   109.93311  -175.78750
   52    43 S   OS   _O45    60     1.42715   108.89069   -64.69059
   53    47 S   OS   _O35    72     1.63079    98.20666   180.00000
   54    53 S   HO   _H9_    73     0.97873   116.03552    79.27327
   55    33 S   CT   _C7_    46     1.54592   108.63767  -141.53067
   56    55 S   HC   _H6_    47     1.09805   109.82497   -54.35885
   57    50 S   OS   _O41    54     1.42919   111.42028    64.47203
   58    52 S   P2   _P4_    61     1.62997   118.77971  -108.66469
   59    58 S   O2Z  _O48    62     1.51106   109.29496   -70.04186
   60    58 S   O2Z  _O46    63     1.51088   109.58627    65.02696
   61    55 S   OS   _O37    48     1.43190   108.93334    65.05285
   62    57 S   P2   _P3_    55     1.62894   120.57906    70.06130
   63    62 S   O2Z  _O44    56     1.51226   109.32253   -85.28451
   64    62 S   O2Z  _O42    57     1.51046   110.15089    50.43193
   65    58 S   OS   _O47    64     1.63043    98.28303   178.01259
   66    65 S   HO   _H12    65     0.97867   115.89915    79.09208
   67    61 S   P2   _P2_    49     1.62992   119.65321  -143.68758
   68    67 S   O2Z  _O40    50     1.51262   109.83367    69.38770
   69    67 S   O2Z  _O38    51     1.51019   110.01700   -65.62560
   70    62 S   OS   _O43    58     1.63126    98.06228   162.44510
   71    70 S   HO   _H11    59     0.97885   115.74385   -78.25806
   72    67 S   OS   _O39    52     1.62991    98.28882  -178.46125
   73    72 S   HO   _H10    53     0.98354   117.01342   -78.36291
  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
  16   8   2   1   1  17   7  13   7   8  15   7   3   1   4   3
   2  12   6   7   1   1   8   3   6   4   3   2   5   4   3   2
   1   1   4   3   2   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    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    55    56    61    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    50    51    55    56    61    67    57    45    42    47  
   38    39    40    50    55    56    61    42  
   36    37  
   37  
    0  
   39    40    41    43    44    50    55    56    61    52    45    46    42    47    48    49    53  
   40    41    43    55    45    42    47  
   41    43    44    50    51    55    57    52    58    45    46    42    47  
   43    44    50    52    45    46    42  
   47    48    49    53    54    43    45    55  
   44    50    51    55    56    61    57    62    52    58    59    60    65    45    46  
   50    51    55    57    52    58    45  
   46    50    52  
    0  
   48    49    53    54  
   49    53    54  
   53    54  
   51    55    56    61    67    57    62    63    64    70    52    58  
   55    56    61    57    62    52  
   58    59    60    65    66    55    57  
   54  
    0  
   56    61    67    68    69    72    57    62  
   61    67    57  
   62    63    64    70    71    61  
   59    60    65    66  
   60    65    66  
   65    66  
   67    68    69    72    73  
   63    64    70    71  
   64    70    71  
   70    71  
   66  
    0  
   68    69    72    73  
   69    72    73  
   72    73  
   71  
    0  
   73  
    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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   48   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   49   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   53   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   59   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   60   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   61   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   63   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   64   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   65   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   68   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   69   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   70   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   72   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.380000   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    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    55   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    50   268.000  1.529
   43    52   320.000  1.410
   50    51   340.000  1.090
   50    55   268.000  1.529
   50    57   320.000  1.410
   55    56   340.000  1.090
   55    61   320.000  1.410
   61    67   230.000  1.697
   67    68   525.000  1.480
   67    69   525.000  1.480
   67    72   230.000  1.697
   72    73   553.000  0.945
   57    62   230.000  1.697
   62    63   525.000  1.480
   62    64   525.000  1.480
   62    70   230.000  1.697
   70    71   553.000  0.945
   52    58   230.000  1.697
   58    59   525.000  1.480
   58    60   525.000  1.480
   58    65   230.000  1.697
   65    66   553.000  0.945
   45    46   553.000  0.945
   42    47   230.000  1.697
   47    48   525.000  1.480
   47    49   525.000  1.480
   47    53   230.000  1.697
   53    54   553.000  0.945
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    55    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    55    50    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    61    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    50.00000  109.50000
   38    42    47   100.00000  120.50000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    50    58.35000  112.70000
   40    43    52    50.00000  109.50000
   40    45    46    55.00000  108.50000
   43    40    41    37.50000  110.70000
   43    50    51    37.50000  110.70000
   43    50    55    58.35000  112.70000
   43    50    57    50.00000  109.50000
   43    52    58   100.00000  120.50000
   50    43    44    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    61    50.00000  109.50000
   50    57    62   100.00000  120.50000
   55    33    34    37.50000  110.70000
   55    33    38    58.35000  112.70000
   55    50    51    37.50000  110.70000
   55    61    67   100.00000  120.50000
   61    55    56    35.00000  109.50000
   61    67    68   100.00000  108.23000
   61    67    69   100.00000  108.23000
   61    67    72    45.00000  102.60000
   67    72    73    45.00000  108.50000
   69    67    68   140.00000  119.90000
   72    67    68   100.00000  108.23000
   72    67    69   100.00000  108.23000
   57    50    51    35.00000  109.50000
   57    50    55    50.00000  109.50000
   57    62    63   100.00000  108.23000
   57    62    64   100.00000  108.23000
   57    62    70    45.00000  102.60000
   62    70    71    45.00000  108.50000
   64    62    63   140.00000  119.90000
   70    62    63   100.00000  108.23000
   70    62    64   100.00000  108.23000
   52    43    44    35.00000  109.50000
   52    43    50    50.00000  109.50000
   52    58    59   100.00000  108.23000
   52    58    60   100.00000  108.23000
   52    58    65    45.00000  102.60000
   58    65    66    45.00000  108.50000
   60    58    59   140.00000  119.90000
   65    58    59   100.00000  108.23000
   65    58    60   100.00000  108.23000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    47    48   100.00000  108.23000
   42    47    49   100.00000  108.23000
   42    47    53    45.00000  102.60000
   47    53    54    45.00000  108.50000
   49    47    48   140.00000  119.90000
   53    47    48   100.00000  108.23000
   53    47    49   100.00000  108.23000
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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    55    50   0.44750  1.0 1.0
   29    33    55    50  -0.17800 -1.0 2.0
   29    33    55    50   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    61   0.56750  1.0 1.0
   29    33    55    61  -0.07550 -1.0 2.0
   29    33    55    61   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    45   0.86500  1.0 1.0
   33    38    40    45  -0.17500 -1.0 2.0
   33    38    40    45   0.20800  1.0 3.0
   33    38    42    47  -2.65550  1.0 1.0
   33    38    42    47  -0.22350 -1.0 2.0
   33    38    42    47   0.24150  1.0 3.0
   33    55    61    67  -2.65550  1.0 1.0
   33    55    61    67  -0.22350 -1.0 2.0
   33    55    61    67   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    55    50   0.15000  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    61   0.23400  1.0 3.0
   38    33    55    50   0.56750  1.0 1.0
   38    33    55    50  -0.07550 -1.0 2.0
   38    33    55    50   0.20000  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    61   0.62750  1.0 1.0
   38    33    55    61  -0.30950 -1.0 2.0
   38    33    55    61   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    50   0.56750  1.0 1.0
   38    40   -43    50  -0.07550 -1.0 2.0
   38    40   -43    50   0.20000  1.0 3.0
   38    40    43    52   0.62750  1.0 1.0
   38    40    43    52  -0.30950 -1.0 2.0
   38    40    43    52   0.27300  1.0 3.0
   38    40    45    46  -0.11600  1.0 1.0
   38    40    45    46  -0.09450 -1.0 2.0
   38    40    45    46   0.21250  1.0 3.0
   38    42    47    48   0.00000  1.0 1.0
   38    42    47    49   0.00000  1.0 1.0
   38    42    47    53   0.05050  1.0 1.0
   38    42    47    53  -1.30700 -1.0 2.0
   38    42    47    53   0.91550  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    47   0.03000  1.0 3.0
   40    38    42    47  -2.65550  1.0 1.0
   40    38    42    47  -0.22350 -1.0 2.0
   40    38    42    47   0.24150  1.0 3.0
   40    43    50    51   0.15000  1.0 3.0
   40    43    50    55   0.56750  1.0 1.0
   40    43    50    55  -0.07550 -1.0 2.0
   40    43    50    55   0.20000  1.0 3.0
   40    43    50    57   0.62750  1.0 1.0
   40    43    50    57  -0.30950 -1.0 2.0
   40    43    50    57   0.27300  1.0 3.0
   40    43    52    58  -2.65550  1.0 1.0
   40    43    52    58  -0.22350 -1.0 2.0
   40    43    52    58   0.24150  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    50   0.15000  1.0 3.0
   41    40    43    52   0.23400  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   43    40    45    46  -0.11600  1.0 1.0
   43    40    45    46  -0.09450 -1.0 2.0
   43    40    45    46   0.21250  1.0 3.0
   43    50   -55    33   0.56750  1.0 1.0
   43    50   -55    33  -0.07550 -1.0 2.0
   43    50   -55    33   0.20000  1.0 3.0
   43    50    55    56   0.15000  1.0 3.0
   43    50    55    61   0.62750  1.0 1.0
   43    50    55    61  -0.30950 -1.0 2.0
   43    50    55    61   0.27300  1.0 3.0
   43    50    57    62  -2.65550  1.0 1.0
   43    50    57    62  -0.22350 -1.0 2.0
   43    50    57    62   0.24150  1.0 3.0
   43    52    58    59   0.00000  1.0 1.0
   43    52    58    60   0.00000  1.0 1.0
   43    52    58    65   0.05050  1.0 1.0
   43    52    58    65  -1.30700 -1.0 2.0
   43    52    58    65   0.91550  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    55   0.15000  1.0 3.0
   44    43    50    57   0.23400  1.0 3.0
   44    43    52    58   0.03000  1.0 3.0
   50    43    52    58  -2.65550  1.0 1.0
   50    43    52    58  -0.22350 -1.0 2.0
   50    43    52    58   0.24150  1.0 3.0
   50    55    61    67  -2.65550  1.0 1.0
   50    55    61    67  -0.22350 -1.0 2.0
   50    55    61    67   0.24150  1.0 3.0
   50    57    62    63   0.00000  1.0 1.0
   50    57    62    64   0.00000  1.0 1.0
   50    57    62    70   0.05050  1.0 1.0
   50    57    62    70  -1.30700 -1.0 2.0
   50    57    62    70   0.91550  1.0 3.0
   51    50    55    33   0.15000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    61   0.23400  1.0 3.0
   51    50    57    62   0.03000  1.0 3.0
   55    33    38    39   0.15000  1.0 3.0
   55    33   -38    40   0.56750  1.0 1.0
   55    33   -38    40  -0.07550 -1.0 2.0
   55    33   -38    40   0.20000  1.0 3.0
   55    33    38    42   0.62750  1.0 1.0
   55    33    38    42  -0.30950 -1.0 2.0
   55    33    38    42   0.27300  1.0 3.0
   55    50    57    62  -2.65550  1.0 1.0
   55    50    57    62  -0.22350 -1.0 2.0
   55    50    57    62   0.24150  1.0 3.0
   55    61    67    68   0.00000  1.0 1.0
   55    61    67    69   0.00000  1.0 1.0
   55    61    67    72   0.05050  1.0 1.0
   55    61    67    72  -1.30700 -1.0 2.0
   55    61    67    72   0.91550  1.0 3.0
   56    55    61    67   0.03000  1.0 3.0
   61    67    72    73   0.00000  1.0 1.0
   68    67    72    73   0.00000  1.0 1.0
   69    67    72    73   0.00000  1.0 1.0
   57    50    55    33   0.62750  1.0 1.0
   57    50    55    33  -0.30950 -1.0 2.0
   57    50    55    33   0.27300  1.0 3.0
   57    50    55    56   0.23400  1.0 3.0
   57    50    55    61   1.11900  1.0 1.0
   57    50    55    61  -1.16350 -1.0 2.0
   57    50    55    61  -0.34150  1.0 3.0
   57    62    70    71   0.00000  1.0 1.0
   63    62    70    71   0.00000  1.0 1.0
   64    62    70    71   0.00000  1.0 1.0
   52    43    50    51   0.23400  1.0 3.0
   52    43    50    55   0.62750  1.0 1.0
   52    43    50    55  -0.30950 -1.0 2.0
   52    43    50    55   0.27300  1.0 3.0
   52    43    50    57   1.11900  1.0 1.0
   52    43    50    57  -1.16350 -1.0 2.0
   52    43    50    57  -0.34150  1.0 3.0
   52    58    65    66   0.00000  1.0 1.0
   59    58    65    66   0.00000  1.0 1.0
   60    58    65    66   0.00000  1.0 1.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    50   0.86500  1.0 1.0
   45    40    43    50  -0.17500 -1.0 2.0
   45    40    43    50   0.20800  1.0 3.0
   45    40    43    52   3.69350  1.0 1.0
   45    40    43    52  -1.82950 -1.0 2.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   3.69350  1.0 1.0
   42    38    40    45  -1.82950 -1.0 2.0
   42    47    53    54   0.00000  1.0 1.0
   48    47    53    54   0.00000  1.0 1.0
   49    47    53    54   0.00000  1.0 1.0
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
END
