* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    142    226     424
    1     0 S   NP   _N1_     1    28.74975    94.59331   -20.73092
    2     1 S   H    _HN1     2     1.02961    94.14649    35.31011
    3     1 S   H    _H1_     3     1.02838    31.03367   152.06411
    4     1 S   H    _H2_     4     1.02779    86.14520   -72.79599
    5     1 S   CT   _CA1     5     1.50103   141.22849   165.77257
    6     5 S   HC   _HA1     6     1.09570   105.28764    51.71248
    7     5 S   CO3  _C1_     7     1.53835   112.28702   -68.61423
    8     7 S   O2Z  _O11     8     1.26359   115.02574   -45.95344
    9     7 S   O2Z  _O12     9     1.26236   114.91453   133.26618
   10     5 S   CT   _CB1    10     1.53086   107.43374   169.67219
   11    10 S   HC   HB11    11     1.09819   109.49442   -50.33285
   12    10 S   HC   HB12    12     1.09834   110.34144    66.24467
   13    10 S   CT   _CG1    13     1.53016   112.63426  -171.45707
   14    13 S   HC   HG11    14     1.09597   110.29939   -59.69964
   15    13 S   HC   HG12    15     1.09618   110.20404    59.54342
   16    13 S   C    _CD1    16     1.51781   112.10449   179.90309
   17    16 S   O    _OE1    17     1.22732   123.18575   -10.92924
   18    16 S   N    _N2_    18     1.38612   111.69688   169.22179
   19    18 S   H    _HN2    19     1.01588   119.04728     2.35767
   20    18 S   CT1  _CA2    20     1.46281   123.35130  -175.65855
   21    20 S   HC   _HA2    21     1.09728   109.35532   -15.74385
   22    20 S   C    _C2_    22     1.53338   108.42440  -131.67101
   23    22 S   O    _O2_    23     1.23007   122.26144  -145.68456
   24    20 S   CT   _CB2    32     1.53524   111.11971   106.20473
   25    24 S   HC   HB21    33     1.09590   109.52121    55.93274
   26    24 S   HC   HB22    34     1.09497   110.76026   174.75951
   27    22 S   N    _N3_    24     1.38513   113.31578    41.67487
   28    27 S   H    _HN3    25     1.01535   118.90926    -0.55638
   29    24 S   S    _SG2    35     1.82816   111.55195   -65.37524
   30    27 S   CT   _CA3    26     1.45449   123.41637   175.10079
   31    30 S   HC   HA31    27     1.09526   109.20214    25.03007
   32    30 S   HC   HA32    28     1.09495   107.13067   142.03004
   33    29 S   CT   _C15    36     1.82952    99.76510   153.88191
   34    33 S   HC   _H7_    37     1.09645   109.06416   -46.44676
   35    30 S   CO3  _C3_    29     1.52929   113.14154   -98.42232
   36    35 S   O2Z  _O31    30     1.26401   115.41666   -44.20528
   37    35 S   O2Z  _O32    31     1.26357   114.97463   136.73494
   38    33 S   CT   _C16    38     1.52795   107.71327    73.66889
   39    38 S   HC   _H16    39     1.09535   113.54891    37.88551
   40    38 S   HC   _H17    40     1.09351   111.76518   -88.00032
   41    38 S   CO4  _C17    41     1.49747   102.84913   153.66564
   42    41 S   O    _O36    42     1.22661   122.70757   167.83234
   43    41 S   CT   _C13    43     1.52599   112.95684   -12.20489
   44    43 S   CT   _C12    44     1.54613   108.76135  -129.93616
   45    44 S   HC   _H5_    45     1.09573   108.53851   -58.59078
   46    33 S   CT   _C14    58     1.55546   114.92061  -169.30657
   47    46 S   HC   _H6_    59     1.09927   107.09840   -41.33756
   48    43 S   CT   _C18    71     1.53894   105.05122   109.69200
   49    48 S   HC   _H18    72     1.09051   113.22902   176.54589
   50    48 S   HC   _H19    73     1.09709   110.75789    56.96257
   51    48 S   HC   _H20    74     1.09583   111.51769   -61.66233
   52    44 S   CM   _C8_    46     1.49680   114.51769   177.12036
   53    44 S   OH   _O37    69     1.43276   109.39184    56.76354
   54    53 S   HO   _H21    70     0.97283   107.63300  -173.79455
   55    52 S   CM   _C9_    47     1.33677   127.06249   130.08286
   56    55 S   CO4  _C10    48     1.46951   106.57714   175.21108
   57    56 S   O    _O33    49     1.21879   125.70564  -179.30142
   58    55 S   CT   _C11    64     1.48268   131.61568    -0.29074
   59    58 S   HC   _H13    65     1.09506   110.61662   132.58612
   60    58 S   HC   _H14    66     1.09316   112.32838    12.14902
   61    56 S   OS   _O34    50     1.36129   108.88667    -0.86003
   62    58 S   OH   _O35    67     1.42043   108.84905  -107.92566
   63    62 S   HO   _H15    68     0.97240   107.08534  -177.04647
   64    52 S   CT   _C7_    51     1.48890   121.73688   -51.75549
   65    64 S   HC   _H4_    52     1.09465   112.42711   -57.26509
   66    64 S   CT   _C6_    53     1.52958   114.14017    71.75978
   67    66 S   HC   _H11    54     1.09795   108.93844    44.92340
   68    66 S   HC   _H12    55     1.09899   108.21935   155.47117
   69    66 S   CT   _C5_    56     1.54999   117.48067   -79.37504
   70    69 S   HC   _H3_    57     1.09874   106.41467   146.89600
   71    69 S   CT   _C4_    60     1.53816   107.83043  -100.27821
   72    71 S   HC   _H8_    61     1.09464   111.41009    76.43951
   73    71 S   HC   _H9_    62     1.09593   111.39997   -43.97989
   74    71 S   HC   _H10    63     1.09204   111.43454  -161.14417
  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
  15   8   2   1   1  10   5   4  13   4  17  18   7  17   5   6
   2   1   1  16   3   1  11   9   3   6   3   2   6   1   1   7
   4   8   4   3   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    69    46    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    66    69    70    46    47    71    48  
   38    39    40    41    43    69    46    47  
   36    37  
   37  
    0  
   39    40    41    42    43    44    69    46    47    48  
   40    41    42    43    46  
   41    42    43    46  
   42    43    44    45    52    69    46    47    53    48    49    50    51  
   43    44    46    48  
   44    45    52    55    64    66    69    70    46    47    71    53    54    48    49    50    51  
   45    52    55    56    61    64    65    66    69    46    47    58    53    54    48    49    50    51  
   52    55    64    46    53    54    48  
   47    71    72    73    74    53    48    49    50    51    52    64    66    67    68    69    70  
   71    48    66    69    70  
   49    50    51    52    53    69  
   50    51  
   51  
    0  
   55    56    57    61    64    65    66    67    68    69    58    59    60    62    53    54  
   54    55    64  
    0  
   56    57    61    64    65    66    58    59    60    62    63  
   57    61    64    65    66    58    59    60    62  
   61    64    58  
   59    60    62    63    61    64  
   60    62    63  
   62    63  
   64    65    66    67    68    69  
   63  
    0  
   65    66    67    68    69    70    71  
   66    67    68    69  
   67    68    69    70    71    72    73    74  
   68    69    70    71  
   69    70    71  
   70    71    72    73    74  
   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  -0.335000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    46   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   268.000  1.529
   43    46   268.000  1.529
   43    48   268.000  1.529
   44    45   340.000  1.090
   44    52   317.000  1.510
   44    53   320.000  1.410
   52    55   549.000  1.340
   52    64   317.000  1.510
   55    56   320.000  1.462
   55    58   317.000  1.510
   56    57   570.000  1.229
   56    61   214.000  1.327
   61    64   320.000  1.410
   64    65   340.000  1.090
   64    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    46   268.000  1.529
   69    71   268.000  1.529
   46    47   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   320.000  1.410
   62    63   553.000  0.945
   53    54   553.000  0.945
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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    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    46    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    46    43    58.35000  112.70000
   33    46    69    58.35000  112.70000
   33    46    47    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    63.00000  111.10000
   41    43    46    63.00000  111.10000
   41    43    48    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    52    70.00000  112.02700
   43    44    53    50.00000  109.50000
   43    46    69    58.35000  112.70000
   43    46    47    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    51    37.50000  110.70000
   44    52    55    70.00000  124.00000
   44    52    64    65.00000  117.92700
   44    53    54    55.00000  108.50000
   52    44    45    35.00000  109.50000
   52    55    56    65.00000  118.96000
   52    55    58    70.00000  124.00000
   52    64    61    85.00000  110.90400
   52    64    65    35.00000  109.50000
   52    64    66    70.00000  112.02700
   55    56    57    80.00000  123.72100
   55    56    61    90.00000  111.29400
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    62    90.00000  110.39200
   56    61    64    83.00000  116.90000
   61    56    57    83.00000  123.40000
   61    64    65    35.00000  109.50000
   61    64    66    50.00000  109.50000
   64    52    55    70.00000  124.00000
   64    66    67    37.50000  110.70000
   64    66    68    37.50000  110.70000
   64    66    69    58.35000  112.70000
   66    64    65    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    46    58.35000  112.70000
   66    69    71    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    46    47    37.50000  110.70000
   69    71    72    37.50000  110.70000
   69    71    73    37.50000  110.70000
   69    71    74    37.50000  110.70000
   46    33    34    37.50000  110.70000
   46    33    38    58.35000  112.70000
   46    43    44    58.35000  112.70000
   46    69    70    37.50000  110.70000
   71    69    70    37.50000  110.70000
   71    69    46    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   58    55    56    65.00000  116.34900
   58    62    63    55.00000  108.50000
   60    58    59    33.00000  107.80000
   62    58    59    35.00000  109.50000
   62    58    60    35.00000  109.50000
   53    44    45    35.00000  109.50000
   53    44    52    90.00000  110.39200
   48    43    44    58.35000  112.70000
   48    43    46    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    46    43   0.44750  1.0 1.0
   29    33    46    43  -0.17800 -1.0 2.0
   29    33    46    43   0.20200  1.0 3.0
   29    33    46    69   0.44750  1.0 1.0
   29    33    46    69  -0.17800 -1.0 2.0
   29    33    46    69   0.20200  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38   -41    43   0.60050  1.0 1.0
   33    38   -41    43   0.05600 -1.0 2.0
   33    38   -41    43   0.26150  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    41  -0.11250  1.0 3.0
   34    33    46    43   0.15000  1.0 3.0
   34    33    46    69   0.15000  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   38    33   -46    43   0.56750  1.0 1.0
   38    33   -46    43  -0.07550 -1.0 2.0
   38    33   -46    43   0.20000  1.0 3.0
   38    33    46    69   0.56750  1.0 1.0
   38    33    46    69  -0.07550 -1.0 2.0
   38    33    46    69   0.20000  1.0 3.0
   38    33    46    47   0.15000  1.0 3.0
   38    41    43    44   0.60050  1.0 1.0
   38    41    43    44   0.05600 -1.0 2.0
   38    41    43    44   0.26150  1.0 3.0
   38    41   -43    46   0.60050  1.0 1.0
   38    41   -43    46   0.05600 -1.0 2.0
   38    41   -43    46   0.26150  1.0 3.0
   38    41    43    48   0.60050  1.0 1.0
   38    41    43    48   0.05600 -1.0 2.0
   38    41    43    48   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    44    45  -0.11250  1.0 3.0
   41    43    44    52  -0.98800  1.0 1.0
   41    43    44    52   0.48800 -1.0 2.0
   41    43    44    52   0.76800  1.0 3.0
   41    43    44    53  -0.09450  1.0 1.0
   41    43    44    53  -1.12950 -1.0 2.0
   41    43    44    53   0.54000  1.0 3.0
   41    43   -46    33  -0.95700  1.0 1.0
   41    43   -46    33  -0.18200 -1.0 2.0
   41    43   -46    33   0.29450  1.0 3.0
   41    43    46    69  -0.95700  1.0 1.0
   41    43    46    69  -0.18200 -1.0 2.0
   41    43    46    69   0.29450  1.0 3.0
   41    43    46    47  -0.11250  1.0 3.0
   41    43    48    49  -0.11250  1.0 3.0
   41    43    48    50  -0.11250  1.0 3.0
   41    43    48    51  -0.11250  1.0 3.0
   42    41    43    44   0.30150 -1.0 2.0
   42    41    43    46   0.30150 -1.0 2.0
   42    41    43    48   0.30150 -1.0 2.0
   43    44    52    55   0.09850  1.0 1.0
   43    44    52    55   0.15250 -1.0 2.0
   43    44    52    55  -0.50650  1.0 3.0
   43    44    52    64   0.46850  1.0 1.0
   43    44    52    64   0.08550 -1.0 2.0
   43    44    52    64   0.09800  1.0 3.0
   43    44    53    54  -0.11600  1.0 1.0
   43    44    53    54  -0.09450 -1.0 2.0
   43    44    53    54   0.21250  1.0 3.0
   44    43    46    33   0.56750  1.0 1.0
   44    43    46    33  -0.07550 -1.0 2.0
   44    43    46    33   0.20000  1.0 3.0
   44    43    46    69   0.56750  1.0 1.0
   44    43    46    69  -0.07550 -1.0 2.0
   44    43    46    69   0.20000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    51   0.15000  1.0 3.0
   44    52    55    56   7.00000 -1.0 2.0
   44    52    55    58   7.00000 -1.0 2.0
   44    52    64    61   0.09700  1.0 1.0
   44    52    64    61   0.15600 -1.0 2.0
   44    52    64    61  -0.50800  1.0 3.0
   44    52    64    65   0.34800  1.0 3.0
   44    52    64    66   0.46850  1.0 1.0
   44    52    64    66   0.08550 -1.0 2.0
   44    52    64    66   0.09800  1.0 3.0
   45    44    52    55   0.00000  1.0 1.0
   45    44    52    64   0.34800  1.0 3.0
   45    44    53    54   0.19450  1.0 3.0
   52    44    53    54  -0.07800  1.0 1.0
   52    44    53    54  -0.21500 -1.0 2.0
   52    44    53    54  -0.03150  1.0 3.0
   52    55    56    57   1.00000 -1.0 2.0
   52    55   -56    61  -0.56150  1.0 1.0
   52    55   -56    61   2.19150 -1.0 2.0
   52    55    58    59   0.00000  1.0 1.0
   52    55    58    60   0.00000  1.0 1.0
   52    55    58    62   0.67800  1.0 1.0
   52    55    58    62   0.47050 -1.0 2.0
   52    55    58    62  -0.62500  1.0 3.0
   52    64    66    67   0.15000  1.0 3.0
   52    64    66    68   0.15000  1.0 3.0
   52    64    66    69   0.34400  1.0 1.0
   52    64    66    69   0.09450 -1.0 2.0
   52    64    66    69   0.11100  1.0 3.0
   55    52   -64    61   0.39000  1.0 1.0
   55    52   -64    61  -0.05800 -1.0 2.0
   55    52   -64    61  -0.55150  1.0 3.0
   55    52    64    65   0.00000  1.0 1.0
   55    52    64    66   0.09850  1.0 1.0
   55    52    64    66   0.15250 -1.0 2.0
   55    52    64    66  -0.50650  1.0 3.0
   55    56   -61    64   2.00000 -1.0 2.0
   55    58    62    63  -0.07800  1.0 1.0
   55    58    62    63  -0.21500 -1.0 2.0
   55    58    62    63  -0.03150  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    62   0.09700  1.0 1.0
   56    55    58    62   0.15600 -1.0 2.0
   56    55    58    62  -0.50800  1.0 3.0
   56    61   -64    52  -0.82050  1.0 1.0
   56    61   -64    52   0.00600 -1.0 2.0
   56    61   -64    52   0.04400  1.0 3.0
   56    61    64    65   0.08050  1.0 3.0
   56    61    64    66  -0.25900  1.0 1.0
   56    61    64    66  -0.47000 -1.0 2.0
   56    61    64    66   0.11750  1.0 3.0
   57    56    61    64   3.00000 -1.0 2.0
   61    64    66    67   0.23400  1.0 3.0
   61    64    66    68   0.23400  1.0 3.0
   61    64    66    69   0.62750  1.0 1.0
   61    64    66    69  -0.30950 -1.0 2.0
   61    64    66    69   0.27300  1.0 3.0
   64    52   -55    56   7.00000 -1.0 2.0
   64    52    55    58   7.00000 -1.0 2.0
   64    66    69    70   0.15000  1.0 3.0
   64    66    69    46   0.56750  1.0 1.0
   64    66    69    46  -0.07550 -1.0 2.0
   64    66    69    46   0.20000  1.0 3.0
   64    66    69    71   0.56750  1.0 1.0
   64    66    69    71  -0.07550 -1.0 2.0
   64    66    69    71   0.20000  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    69   0.15000  1.0 3.0
   66    69    46    33   0.56750  1.0 1.0
   66    69    46    33  -0.07550 -1.0 2.0
   66    69    46    33   0.20000  1.0 3.0
   66    69    46    43   0.56750  1.0 1.0
   66    69    46    43  -0.07550 -1.0 2.0
   66    69    46    43   0.20000  1.0 3.0
   66    69    46    47   0.15000  1.0 3.0
   66    69    71    72   0.15000  1.0 3.0
   66    69    71    73   0.15000  1.0 3.0
   66    69    71    74   0.15000  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    46   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    46   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   70    69    46    33   0.15000  1.0 3.0
   70    69    46    43   0.15000  1.0 3.0
   70    69    46    47   0.15000  1.0 3.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    73   0.15000  1.0 3.0
   70    69    71    74   0.15000  1.0 3.0
   46    33    38    39   0.15000  1.0 3.0
   46    33    38    40   0.15000  1.0 3.0
   46    33   -38    41  -0.95700  1.0 1.0
   46    33   -38    41  -0.18200 -1.0 2.0
   46    33   -38    41   0.29450  1.0 3.0
   46    43    44    45   0.15000  1.0 3.0
   46    43    44    52   0.34400  1.0 1.0
   46    43    44    52   0.09450 -1.0 2.0
   46    43    44    52   0.11100  1.0 3.0
   46    43    44    53   0.86500  1.0 1.0
   46    43    44    53  -0.17500 -1.0 2.0
   46    43    44    53   0.20800  1.0 3.0
   46    43    48    49   0.15000  1.0 3.0
   46    43    48    50   0.15000  1.0 3.0
   46    43    48    51   0.15000  1.0 3.0
   46    69    71    72   0.15000  1.0 3.0
   46    69    71    73   0.15000  1.0 3.0
   46    69    71    74   0.15000  1.0 3.0
   71    69    46    33   0.56750  1.0 1.0
   71    69    46    33  -0.07550 -1.0 2.0
   71    69    46    33   0.20000  1.0 3.0
   71    69    46    43   0.56750  1.0 1.0
   71    69    46    43  -0.07550 -1.0 2.0
   71    69    46    43   0.20000  1.0 3.0
   71    69    46    47   0.15000  1.0 3.0
   58    55    56    57  -0.64400  1.0 1.0
   58    55    56    57   0.26850 -1.0 2.0
   58    55    56    61  -0.15000  1.0 1.0
   58    55    56    61   0.89550 -1.0 2.0
   58    55    56    61  -0.06900  1.0 3.0
   59    58    62    63   0.19450  1.0 3.0
   60    58    62    63   0.19450  1.0 3.0
   53    44    52    55   0.67800  1.0 1.0
   53    44    52    55   0.47050 -1.0 2.0
   53    44    52    55  -0.62500  1.0 3.0
   53    44    52    64   0.18000  1.0 1.0
   53    44    52    64   0.16450 -1.0 2.0
   53    44    52    64   0.04450  1.0 3.0
   48    43    44    45   0.15000  1.0 3.0
   48    43    44    52   0.34400  1.0 1.0
   48    43    44    52   0.09450 -1.0 2.0
   48    43    44    52   0.11100  1.0 3.0
   48    43    44    53   0.86500  1.0 1.0
   48    43    44    53  -0.17500 -1.0 2.0
   48    43    44    53   0.20800  1.0 3.0
   48    43    46    33   0.56750  1.0 1.0
   48    43    46    33  -0.07550 -1.0 2.0
   48    43    46    33   0.20000  1.0 3.0
   48    43    46    69   0.56750  1.0 1.0
   48    43    46    69  -0.07550 -1.0 2.0
   48    43    46    69   0.20000  1.0 3.0
   48    43    46    47   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   44    64    52    55   1.10000 -1.0 2.0
   56    58    55    52   1.10000 -1.0 2.0
   55    61    56    57  10.50000 -1.0 2.0
END
