* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    141    215     419
    1     0 S   NP   _N1_     1    28.15424    92.40606   -19.88835
    2     1 S   H    _HN1     2     1.02950    97.07412     0.84673
    3     1 S   H    _H1_     3     1.02835    33.46014   111.18743
    4     1 S   H    _H2_     4     1.02781    81.53753  -106.73367
    5     1 S   CT   _CA1     5     1.50004   142.03155   137.75453
    6     5 S   HC   _HA1     6     1.09611   105.17444    43.37158
    7     5 S   CO3  _C1_     7     1.53939   112.80979   -76.31165
    8     7 S   O2Z  _O11     8     1.26336   114.98098   -41.80395
    9     7 S   O2Z  _O12     9     1.26378   114.99711   137.88497
   10     5 S   CT   _CB1    10     1.53306   107.46568   160.83175
   11    10 S   HC   HB11    11     1.09779   109.22301   -56.75321
   12    10 S   HC   HB12    12     1.09793   110.61712    60.01577
   13    10 S   CT   _CG1    13     1.52598   111.97666  -178.13355
   14    13 S   HC   HG11    14     1.09593   109.50272   -69.84187
   15    13 S   HC   HG12    15     1.09709   109.87656    48.94968
   16    13 S   C    _CD1    16     1.51636   114.10809   169.91468
   17    16 S   O    _OE1    17     1.22587   123.81790    -1.34494
   18    16 S   N    _N2_    18     1.38383   110.52442   178.67337
   19    18 S   H    _HN2    19     1.01649   118.58987     4.33097
   20    18 S   CT1  _CA2    20     1.45755   124.65218   176.47141
   21    20 S   HC   _HA2    21     1.09670   109.75108    16.59831
   22    20 S   C    _C2_    22     1.53257   106.53694   -99.83326
   23    22 S   O    _O2_    23     1.22999   123.21316    -6.72765
   24    20 S   CT   _CB2    32     1.53231   110.09681   140.21377
   25    24 S   HC   HB21    33     1.09330   109.55951    48.44090
   26    24 S   HC   HB22    34     1.09403   111.79689   167.30485
   27    22 S   N    _N3_    24     1.38675   112.78767   173.73306
   28    27 S   H    _HN3    25     1.01461   119.95868    -0.99485
   29    24 S   S    _SG2    35     1.82653   111.39730   -73.01215
   30    27 S   CT   _CA3    26     1.45412   122.24369   174.13358
   31    30 S   HC   HA31    27     1.09563   108.48778    40.49590
   32    30 S   HC   HA32    28     1.09472   107.19611   157.55369
   33    29 S   CT   _C14    36     1.82823    99.63938   141.34218
   34    33 S   HC   _H3_    37     1.09470   109.88086    24.48317
   35    33 S   HC   _H4_    38     1.09511   106.62823   140.95375
   36    30 S   CO3  _C3_    29     1.53246   114.36471   -81.83831
   37    36 S   O2Z  _O31    30     1.26374   116.40726   -16.46933
   38    36 S   O2Z  _O32    31     1.26480   114.32679   164.02801
   39    33 S   CT   _C9_    39     1.52990   111.22260   -99.67128
   40    39 S   HC   _H29    40     1.09745   109.95402   -49.99817
   41    39 S   CT   _C5_    41     1.53643   111.92408  -172.95252
   42    41 S   HC   _H25    42     1.09507   112.84735     9.34977
   43    41 S   CT   _C7_    43     1.51676   103.81004  -113.21141
   44    43 S   HC   _H27    44     1.09303   114.62001  -151.32687
   45    41 S   OH   _O16    75     1.42374   110.37032   129.70495
   46    45 S   HO   _H39    76     0.97284   107.59341   -64.57933
   47    43 S   CO   _C12    45     1.53706   103.39689   -27.22582
   48    43 S   OH   _O18    73     1.43207   107.92119    88.69176
   49    48 S   HO   _H41    74     0.97242   107.42371    69.60954
   50    39 S   OS   _O14    46     1.44429   109.97390    68.33428
   51    47 S   CT   _C15    47     1.54610   114.20675   -79.03884
   52    51 S   Cl   CL23    48     1.78125   113.06170   -59.66028
   53    51 S   HC   _H36    49     1.09294   110.86180  -179.10913
   54    51 S   HC   _H37    50     1.09320   112.52959    62.62933
   55    47 S   OS   _O20    51     1.43498   108.47398   158.79344
   56    55 S   CO   _C11    52     1.43090   115.39051  -155.22251
   57    56 S   HC   _H31    53     1.09146   109.77753   -25.76644
   58    56 S   CT   _C6_    54     1.53446   110.08518  -143.80140
   59    58 S   HC   _H26    55     1.09647   110.05753   171.71127
   60    58 S   CT   _C4_    56     1.52908   110.36116   -67.58872
   61    60 S   HC   _H24    57     1.09726   109.21647    67.82395
   62    58 S   OH   _O17    71     1.42627   110.24687    54.09354
   63    62 S   HO   _H40    72     0.97610   107.39640    64.47872
   64    60 S   CT   _C8_    58     1.53646   110.70409   -53.04238
   65    64 S   Cl   CL22    59     1.80437   110.49849   -70.76816
   66    64 S   HC   _H28    60     1.09519   109.64761   173.99537
   67    60 S   OH   _O15    69     1.42705   110.03343  -176.03079
   68    67 S   HO   _H38    70     0.97221   107.62473  -179.80923
   69    64 S   CT   _C10    61     1.53931   110.18361    52.27611
   70    69 S   HC   _H30    62     1.09775   109.16094    63.63859
   71    56 S   OS   _O13    63     1.43459   111.66025    93.24321
   72    69 S   CT   _C13    64     1.53176   112.93088  -176.52509
   73    72 S   HC   _H32    65     1.09337   111.50420    77.27150
   74    72 S   HC   _H33    66     1.09422   111.18192   -45.36265
   75    72 S   OH   _O19    67     1.42450   109.39180  -163.93356
   76    75 S   HO   _H42    68     0.97680   106.70055  -168.49883
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  10   5   4   2   1   1  12   6  11   7  13   7   4   1  12   4
   1   6   5   3   2   1   8  13   6  12   7  12   7   4   1  11
   6   5   2   1   7   5   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    50  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    50    45  
   35    39    40    41    50  
   39    40    41    50  
   37    38  
   38  
    0  
   40    41    42    43    44    47    50    51    55    48    45    46  
   41    42    43    47    50    45  
   42    43    44    47    50    51    55    48    49    45    46  
   43    44    47    50    48    45    46  
   44    47    50    51    52    53    54    55    56    48    49    45    46  
   47    50    51    55    48    49    45  
   46    47    48    50  
    0  
   50    51    52    53    54    55    56    57    58    71    48    49  
   49    50    51    55  
    0  
   51    52    53    54    55    56  
   52    53    54    55    56  
   53    54    55  
   54    55  
   55  
   56    57    58    59    60    69    71    62  
   57    58    59    60    61    64    69    70    71    72    67    62    63  
   58    59    60    69    71    62  
   59    60    61    64    65    66    69    71    67    68    62    63  
   60    61    64    71    67    62    63  
   61    64    65    66    69    70    71    72    67    68    62    63  
   64    65    66    69    67    68    62  
   63    64    67    71  
    0  
   65    66    69    70    71    72    73    74    75    67    68  
   66    69    70    71    72    67  
   69    70    71    72    67  
   68    69  
    0  
   70    71    72    73    74    75    76  
   71    72    73    74    75  
   72    73    74    75  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   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   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660  -0.006000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   53   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   55   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.205000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   66   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    50   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    47   250.000  1.527
   43    48   320.000  1.410
   47    50   320.000  1.380
   47    51   250.000  1.527
   47    55   320.000  1.380
   51    52   245.000  1.781
   51    53   340.000  1.090
   51    54   340.000  1.090
   55    56   320.000  1.380
   56    57   340.000  1.090
   56    58   250.000  1.527
   56    71   320.000  1.380
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    62   320.000  1.410
   60    61   340.000  1.090
   60    64   268.000  1.529
   60    67   320.000  1.410
   64    65   245.000  1.781
   64    66   340.000  1.090
   64    69   268.000  1.529
   69    70   340.000  1.090
   69    71   320.000  1.410
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   320.000  1.410
   75    76   553.000  0.945
   67    68   553.000  0.945
   62    63   553.000  0.945
   48    49   553.000  0.945
   45    46   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    50    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    50    47    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    75.00000  109.43000
   41    43    48    50.00000  109.50000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    50    90.00000  108.56700
   43    47    51    65.00000  112.71400
   43    47    55    90.00000  108.56700
   43    48    49    55.00000  108.50000
   47    43    44    45.00000  108.72000
   47    51    52    75.00000  108.76400
   47    51    53    45.00000  108.72000
   47    51    54    45.00000  108.72000
   47    55    56   100.00000  109.58800
   50    39    40    35.00000  109.50000
   50    39    41    50.00000  109.50000
   51    47    50    90.00000  108.56700
   53    51    52    51.00000  107.60000
   54    51    52    51.00000  107.60000
   54    51    53    33.00000  107.80000
   55    47    50    92.60000  111.55000
   55    47    51    90.00000  108.56700
   55    56    57    35.00000  109.50000
   55    56    58    90.00000  108.56700
   55    56    71    92.60000  111.55000
   56    58    59    45.00000  108.72000
   56    58    60    75.00000  109.43000
   56    58    62    90.00000  111.58700
   56    71    69    60.00000  109.50000
   58    56    57    45.00000  112.01100
   58    60    61    37.50000  110.70000
   58    60    64    58.35000  112.70000
   58    60    67    50.00000  109.50000
   58    62    63    55.00000  108.50000
   60    58    59    37.50000  110.70000
   60    64    65    69.00000  109.80000
   60    64    66    37.50000  110.70000
   60    64    69    58.35000  112.70000
   60    67    68    55.00000  108.50000
   64    60    61    37.50000  110.70000
   64    69    70    37.50000  110.70000
   64    69    71    50.00000  109.50000
   64    69    72    58.35000  112.70000
   66    64    65    51.00000  107.60000
   69    64    65    69.00000  109.80000
   69    64    66    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    50.00000  109.50000
   71    56    57    35.00000  109.50000
   71    56    58    90.00000  108.56700
   71    69    70    35.00000  109.50000
   72    69    70    37.50000  110.70000
   72    69    71    50.00000  109.50000
   72    75    76    55.00000  108.50000
   74    72    73    33.00000  107.80000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   67    60    61    35.00000  109.50000
   67    60    64    50.00000  109.50000
   62    58    59    35.00000  109.50000
   62    58    60    50.00000  109.50000
   48    43    44    35.00000  109.50000
   48    43    47    90.00000  111.58700
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    50   0.56750  1.0 1.0
   29    33    39    50  -0.07550 -1.0 2.0
   29    33    39    50   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    50    47   0.06250  1.0 1.0
   33    39    50    47  -0.01100 -1.0 2.0
   33    39    50    47   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    50   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    50   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    47   3.97050  1.0 1.0
   39    41    43    48   0.86500  1.0 1.0
   39    41    43    48  -0.17500 -1.0 2.0
   39    41    43    48   0.20800  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    50    47   0.37050  1.0 3.0
   41    39   -50    47   0.06250  1.0 1.0
   41    39   -50    47  -0.01100 -1.0 2.0
   41    39   -50    47   0.28050  1.0 3.0
   41    43   -47    50   0.62750  1.0 1.0
   41    43   -47    50  -0.30950 -1.0 2.0
   41    43   -47    50   0.27300  1.0 3.0
   41    43    47    51   0.56750  1.0 1.0
   41    43    47    51  -0.07550 -1.0 2.0
   41    43    47    51   0.20000  1.0 3.0
   41    43    47    55   0.62750  1.0 1.0
   41    43    47    55  -0.30950 -1.0 2.0
   41    43    47    55   0.27300  1.0 3.0
   41    43    48    49  -0.11600  1.0 1.0
   41    43    48    49  -0.09450 -1.0 2.0
   41    43    48    49   0.21250  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    48   0.23400  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46  -0.11600  1.0 1.0
   43    41    45    46  -0.09450 -1.0 2.0
   43    41    45    46   0.21250  1.0 3.0
   43    47   -50    39   0.06250  1.0 1.0
   43    47   -50    39  -0.01100 -1.0 2.0
   43    47   -50    39   0.28050  1.0 3.0
   43    47    51    52   0.35600  1.0 1.0
   43    47    51    52  -0.14650 -1.0 2.0
   43    47    51    52   0.33350  1.0 3.0
   43    47    51    53   0.15000  1.0 3.0
   43    47    51    54   0.15000  1.0 3.0
   43    47    55    56   0.06250  1.0 1.0
   43    47    55    56  -0.01100 -1.0 2.0
   43    47    55    56   0.28050  1.0 3.0
   44    43    47    50   0.23400  1.0 3.0
   44    43    47    51   0.15000  1.0 3.0
   44    43    47    55   0.23400  1.0 3.0
   44    43    48    49   0.19450  1.0 3.0
   47    43    48    49  -0.11600  1.0 1.0
   47    43    48    49  -0.09450 -1.0 2.0
   47    43    48    49   0.21250  1.0 3.0
   47    55    56    57   0.37050  1.0 3.0
   47    55    56    58   0.06250  1.0 1.0
   47    55    56    58  -0.01100 -1.0 2.0
   47    55    56    58   0.28050  1.0 3.0
   47    55    56    71  -0.53350  1.0 1.0
   47    55    56    71  -0.78350 -1.0 2.0
   47    55    56    71   0.33750  1.0 3.0
   50    39    41    42   0.23400  1.0 3.0
   50    39   -41    43   0.62750  1.0 1.0
   50    39   -41    43  -0.30950 -1.0 2.0
   50    39   -41    43   0.27300  1.0 3.0
   50    39    41    45   3.69350  1.0 1.0
   50    39    41    45  -1.82950 -1.0 2.0
   50    47    51    52   0.56750  1.0 1.0
   50    47    51    52  -0.07550 -1.0 2.0
   50    47    51    52   0.20000  1.0 3.0
   50    47    51    53   0.23400  1.0 3.0
   50    47    51    54   0.23400  1.0 3.0
   50    47    55    56  -0.53350  1.0 1.0
   50    47    55    56  -0.78350 -1.0 2.0
   50    47    55    56   0.33750  1.0 3.0
   51    47    50    39   0.06250  1.0 1.0
   51    47    50    39  -0.01100 -1.0 2.0
   51    47    50    39   0.28050  1.0 3.0
   51    47    55    56   0.06250  1.0 1.0
   51    47    55    56  -0.01100 -1.0 2.0
   51    47    55    56   0.28050  1.0 3.0
   55    47    50    39  -0.53350  1.0 1.0
   55    47    50    39  -0.78350 -1.0 2.0
   55    47    50    39   0.33750  1.0 3.0
   55    47    51    52   0.56750  1.0 1.0
   55    47    51    52  -0.07550 -1.0 2.0
   55    47    51    52   0.20000  1.0 3.0
   55    47    51    53   0.23400  1.0 3.0
   55    47    51    54   0.23400  1.0 3.0
   55    56    58    59   0.23400  1.0 3.0
   55    56    58    60   0.62750  1.0 1.0
   55    56    58    60  -0.30950 -1.0 2.0
   55    56    58    60   0.27300  1.0 3.0
   55    56    58    62   3.69350  1.0 1.0
   55    56    58    62  -1.82950 -1.0 2.0
   55    56    71    69  -0.81800  1.0 1.0
   56    58    60    61   0.15000  1.0 3.0
   56    58    60    64   3.97050  1.0 1.0
   56    58    60    67   0.86500  1.0 1.0
   56    58    60    67  -0.17500 -1.0 2.0
   56    58    60    67   0.20800  1.0 3.0
   56    58    62    63  -0.11600  1.0 1.0
   56    58    62    63  -0.09450 -1.0 2.0
   56    58    62    63   0.21250  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    58    62   0.23400  1.0 3.0
   57    56    71    69   0.37050  1.0 3.0
   58    56    71    69   0.06250  1.0 1.0
   58    56    71    69  -0.01100 -1.0 2.0
   58    56    71    69   0.28050  1.0 3.0
   58    60    64    65   0.35600  1.0 1.0
   58    60    64    65  -0.14650 -1.0 2.0
   58    60    64    65   0.33350  1.0 3.0
   58    60    64    66   0.15000  1.0 3.0
   58    60   -64    69   0.56750  1.0 1.0
   58    60   -64    69  -0.07550 -1.0 2.0
   58    60   -64    69   0.20000  1.0 3.0
   58    60    67    68  -0.11600  1.0 1.0
   58    60    67    68  -0.09450 -1.0 2.0
   58    60    67    68   0.21250  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    64   0.15000  1.0 3.0
   59    58    60    67   0.23400  1.0 3.0
   59    58    62    63   0.19450  1.0 3.0
   60    58    62    63  -0.11600  1.0 1.0
   60    58    62    63  -0.09450 -1.0 2.0
   60    58    62    63   0.21250  1.0 3.0
   60    64    69    70   0.15000  1.0 3.0
   60    64    69    71   0.62750  1.0 1.0
   60    64    69    71  -0.30950 -1.0 2.0
   60    64    69    71   0.27300  1.0 3.0
   60    64    69    72   0.56750  1.0 1.0
   60    64    69    72  -0.07550 -1.0 2.0
   60    64    69    72   0.20000  1.0 3.0
   61    60    64    65   0.27000  1.0 3.0
   61    60    64    66   0.15000  1.0 3.0
   61    60    64    69   0.15000  1.0 3.0
   61    60    67    68   0.19450  1.0 3.0
   64    60    67    68  -0.11600  1.0 1.0
   64    60    67    68  -0.09450 -1.0 2.0
   64    60    67    68   0.21250  1.0 3.0
   64    69   -71    56   0.06250  1.0 1.0
   64    69   -71    56  -0.01100 -1.0 2.0
   64    69   -71    56   0.28050  1.0 3.0
   64    69    72    73   0.15000  1.0 3.0
   64    69    72    74   0.15000  1.0 3.0
   64    69    72    75   0.86500  1.0 1.0
   64    69    72    75  -0.17500 -1.0 2.0
   64    69    72    75   0.20800  1.0 3.0
   65    64    69    70   0.27000  1.0 3.0
   65    64    69    71   0.56750  1.0 1.0
   65    64    69    71  -0.07550 -1.0 2.0
   65    64    69    71   0.20000  1.0 3.0
   65    64    69    72   0.35600  1.0 1.0
   65    64    69    72  -0.14650 -1.0 2.0
   65    64    69    72   0.33350  1.0 3.0
   66    64    69    70   0.15000  1.0 3.0
   66    64    69    71   0.23400  1.0 3.0
   66    64    69    72   0.15000  1.0 3.0
   69    72    75    76  -0.11600  1.0 1.0
   69    72    75    76  -0.09450 -1.0 2.0
   69    72    75    76   0.21250  1.0 3.0
   70    69    71    56   0.37050  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    75   0.23400  1.0 3.0
   71    56    58    59   0.23400  1.0 3.0
   71    56   -58    60   0.62750  1.0 1.0
   71    56   -58    60  -0.30950 -1.0 2.0
   71    56   -58    60   0.27300  1.0 3.0
   71    56    58    62   3.69350  1.0 1.0
   71    56    58    62  -1.82950 -1.0 2.0
   71    69    72    73   0.23400  1.0 3.0
   71    69    72    74   0.23400  1.0 3.0
   71    69    72    75   3.69350  1.0 1.0
   71    69    72    75  -1.82950 -1.0 2.0
   72    69    71    56   0.06250  1.0 1.0
   72    69    71    56  -0.01100 -1.0 2.0
   72    69    71    56   0.28050  1.0 3.0
   73    72    75    76   0.19450  1.0 3.0
   74    72    75    76   0.19450  1.0 3.0
   67    60    64    65   0.56750  1.0 1.0
   67    60    64    65  -0.07550 -1.0 2.0
   67    60    64    65   0.20000  1.0 3.0
   67    60    64    66   0.23400  1.0 3.0
   67    60    64    69   0.86500  1.0 1.0
   67    60    64    69  -0.17500 -1.0 2.0
   67    60    64    69   0.20800  1.0 3.0
   62    58    60    61   0.23400  1.0 3.0
   62    58    60    64   0.86500  1.0 1.0
   62    58    60    64  -0.17500 -1.0 2.0
   62    58    60    64   0.20800  1.0 3.0
   62    58    60    67   3.75450  1.0 1.0
   48    43    47    50   3.69350  1.0 1.0
   48    43    47    50  -1.82950 -1.0 2.0
   48    43    47    51   0.86500  1.0 1.0
   48    43    47    51  -0.17500 -1.0 2.0
   48    43    47    51   0.20800  1.0 3.0
   48    43    47    55   3.69350  1.0 1.0
   48    43    47    55  -1.82950 -1.0 2.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    47   0.86500  1.0 1.0
   45    41    43    47  -0.17500 -1.0 2.0
   45    41    43    47   0.20800  1.0 3.0
   45    41    43    48   3.75450  1.0 1.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
END
