* LIGAND DATABASE FILE (OPLS2005)
*
001      71    74    137    218     399
    1     0 S   NP   _N1_     1    28.81440    98.69980   -18.55154
    2     1 S   H    _HN1     2     1.02838    56.54141   137.44561
    3     1 S   H    _H1_     3     1.02777    82.66059  -105.42335
    4     1 S   H    _H2_     4     1.02961    68.39670     7.61337
    5     1 S   CT   _CA1     5     1.50087   163.88876    96.59585
    6     5 S   HC   _HA1     6     1.09574   105.28284    95.01558
    7     5 S   CO3  _C1_     7     1.53706   112.21931   -25.27019
    8     7 S   O2Z  _O11     8     1.26320   114.93572   -48.84965
    9     7 S   O2Z  _O12     9     1.26220   114.93777   130.26574
   10     5 S   CT   _CB1    10     1.53074   107.43143  -147.09286
   11    10 S   HC   HB11    11     1.09827   109.33550   -51.45311
   12    10 S   HC   HB12    12     1.09816   110.49535    65.10246
   13    10 S   CT   _CG1    13     1.52987   112.58161  -172.50661
   14    13 S   HC   HG11    14     1.09618   110.54624   -64.12589
   15    13 S   HC   HG12    15     1.09656   109.89968    55.07582
   16    13 S   C    _CD1    16     1.51823   112.22471   175.50909
   17    16 S   O    _OE1    17     1.22735   123.31961     2.22563
   18    16 S   N    _N2_    18     1.38506   111.66082  -178.10040
   19    18 S   H    _HN2    19     1.01560   118.90387     5.35855
   20    18 S   CT1  _CA2    20     1.45902   123.03680   178.07736
   21    20 S   HC   _HA2    21     1.09714   109.15084    19.53478
   22    20 S   C    _C2_    22     1.52854   106.99772   -97.60584
   23    22 S   O    _O2_    23     1.22973   123.00821   -26.35257
   24    20 S   CT   _CB2    32     1.53084   111.74039   142.66257
   25    24 S   HC   HB21    33     1.09574   109.83931    54.56897
   26    24 S   HC   HB22    34     1.09511   110.80025   173.10904
   27    22 S   N    _N3_    24     1.38471   112.55573   156.45038
   28    27 S   H    _HN3    25     1.01654   120.38746    -2.34201
   29    24 S   S    _SG2    35     1.82845   110.79122   -67.38532
   30    27 S   CT   _CA3    26     1.45364   122.49918   178.55626
   31    30 S   HC   HA31    27     1.09567   107.83595   -55.37882
   32    30 S   HC   HA32    28     1.09562   107.59426    60.96820
   33    29 S   CT   _C5_    36     1.84121    99.99511   139.60249
   34    33 S   HC   _H3_    37     1.09599   108.19806   -44.52856
   35    30 S   CO3  _C3_    29     1.52895   114.29436  -177.28416
   36    35 S   O2Z  _O31    30     1.26340   116.04379     0.39565
   37    35 S   O2Z  _O32    31     1.26433   114.41859  -179.64723
   38    33 S   CT   _C6_    38     1.54500   110.15706  -163.91275
   39    38 S   HC   _H4_    39     1.09691   111.67850   -66.56702
   40    33 S   CT   _C4_    68     1.53182   107.91222    73.19473
   41    40 S   HC   _H9_    69     1.09588   111.61102    66.36854
   42    40 S   HC   _H10    70     1.09533   111.99358   -55.07887
   43    40 S   HC   _H11    71     1.09416   111.08172  -173.47748
   44    38 S   CO4  _C18    40     1.51376   109.96178   173.18908
   45    44 S   O    _O38    41     1.22202   125.45659    77.37048
   46    44 S   OS   _O37    42     1.36520   110.89285  -100.69384
   47    46 S   CT   _C8_    43     1.42499   110.40959    -9.30276
   48    47 S   CM   _C9_    44     1.48499   111.36179   122.87581
   49    48 S   HC   _H12    45     1.08053   124.37346   -60.51998
   50    38 S   CT   _C7_    59     1.52341   115.00635    60.43729
   51    50 S   HC   _H5_    60     1.09390   115.25882   -32.24431
   52    48 S   CM   _C10    46     1.33619   111.57325   118.78289
   53    52 S   HC   _H13    47     1.08219   123.38784  -179.05622
   54    52 S   CT   _C11    48     1.50561   113.21571     0.24866
   55    54 S   HC   _H6_    49     1.09703   109.36437  -115.04128
   56    54 S   CM   _C15    50     1.49640   112.50235   122.15102
   57    56 S   CM   _C14    51     1.33859   121.27024   -98.19944
   58    57 S   HC   _H14    52     1.08264   124.43560   174.37064
   59    56 S   CO4  _C16    61     1.48758   121.82787    81.42791
   60    59 S   O    _O35    62     1.22308   124.35929   168.91514
   61    57 S   OS   _O34    53     1.36408   125.63587    -1.98800
   62    59 S   OS   _O36    63     1.35953   109.86086   -10.22337
   63    61 S   CO   _C13    54     1.42789   115.42131   -26.74814
   64    63 S   HC   _H8_    55     1.09610   107.28405   -87.99032
   65    62 S   CT   _C17    64     1.43035   115.33438  -178.54424
   66    65 S   HC   _H15    65     1.09326   108.08938   178.14449
   67    65 S   HC   _H16    66     1.09434   110.36759    59.46392
   68    65 S   HC   _H17    67     1.09415   110.23038   -63.17759
   69    47 S   CT   _C12    56     1.53019   110.46064  -121.17033
   70    69 S   HC   _H7_    57     1.09923   109.57755     0.08623
   71    63 S   OS   _O33    58     1.44066   109.67472   155.46308
  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
  14   8   2   1   1  15   8   5   2   1   1   8   3  11  15  12
   5   9   3   9   4  13   6  10   9   3   8   2   5   4   4   3
   3   2   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    50    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    44    45    46    47    71    50    51    40    41    42    43  
   38    39    44    50    40    41    42    43  
   36    37  
   37  
    0  
   39    44    45    46    47    48    63    69    71    50    51    40    41    42    43  
   44    45    46    47    71    50    51    40  
   41    42    43    44    50  
   42    43  
   43  
    0  
   45    46    47    48    69    71    50    51  
   46    47    50  
   47    48    49    52    54    63    69    70    71    50    51  
   48    49    52    53    54    55    56    61    63    64    69    70    71    50    51  
   49    52    53    54    55    56    63    69    70    71    50    51  
   52    53    54    69    50  
   51    52    54    61    63    64    69    70    71  
   63    69    71  
   53    54    55    56    57    63    69    70    59  
   54    55    56    69  
   55    56    57    58    61    63    64    69    70    71    59    60    62  
   56    57    63    69    70    59  
   57    58    61    63    69    70    59    60    62    65  
   58    61    63    64    69    71    59    60    62  
   61    63    59  
   60    62    65    66    67    68    61    69  
   62    65  
   63    64    69    70    71  
   65    66    67    68  
   64    69    70    71  
   69    70    71  
   66    67    68  
   67    68  
   68  
    0  
   70    71  
   71  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660   0.319000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   63   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.030000   1.3810   1.2100   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
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    40   268.000  1.529
   38    39   340.000  1.090
   38    44   317.000  1.522
   38    50   268.000  1.529
   44    45   570.000  1.229
   44    46   214.000  1.327
   46    47   320.000  1.410
   47    48   317.000  1.510
   47    69   268.000  1.529
   47    50   268.000  1.529
   48    49   340.000  1.080
   48    52   549.000  1.340
   52    53   340.000  1.080
   52    54   317.000  1.510
   54    55   340.000  1.090
   54    56   317.000  1.510
   54    69   268.000  1.529
   56    57   549.000  1.340
   56    59   320.000  1.462
   57    58   340.000  1.080
   57    61   440.000  1.360
   61    63   320.000  1.380
   63    64   340.000  1.090
   63    69   250.000  1.527
   63    71   320.000  1.380
   69    70   340.000  1.090
   71    50   320.000  1.410
   50    51   340.000  1.090
   59    60   570.000  1.229
   59    62   214.000  1.327
   62    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    44    63.00000  111.10000
   33    38    50    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    44    45    80.00000  120.40000
   38    44    46    81.00000  111.40000
   38    50    47    58.35000  112.70000
   38    50    71    50.00000  109.50000
   38    50    51    37.50000  110.70000
   44    38    39    35.00000  109.50000
   44    46    47    83.00000  116.90000
   46    44    45    83.00000  123.40000
   46    47    48    85.00000  110.90400
   46    47    69    50.00000  109.50000
   46    47    50    50.00000  109.50000
   47    48    49    35.00000  117.00000
   47    48    52    70.00000  124.00000
   47    69    54    58.35000  112.70000
   47    69    63    75.00000  109.43000
   47    69    70    37.50000  110.70000
   47    50    71    50.00000  109.50000
   47    50    51    37.50000  110.70000
   48    52    53    35.00000  120.00000
   48    52    54    70.00000  124.00000
   52    48    49    35.00000  120.00000
   52    54    55    35.00000  109.50000
   52    54    56    70.00000  110.12100
   52    54    69    70.00000  112.02700
   54    52    53    35.00000  117.00000
   54    56    57    70.00000  124.00000
   54    56    59    65.00000  116.34900
   54    69    63    75.00000  109.43000
   54    69    70    37.50000  110.70000
   56    54    55    35.00000  109.50000
   56    57    58    35.00000  120.00000
   56    57    61    80.00000  120.01400
   56    59    60    80.00000  123.72100
   56    59    62    90.00000  111.29400
   57    61    63    85.00000  113.97000
   61    57    58    55.00000  109.52600
   61    63    64    35.00000  109.50000
   61    63    69    90.00000  108.56700
   61    63    71    92.60000  111.55000
   63    69    70    45.00000  108.72000
   63    71    50    60.00000  109.50000
   69    47    48    70.00000  112.02700
   69    54    55    37.50000  110.70000
   69    54    56    70.00000  112.02700
   69    63    64    45.00000  112.01100
   71    63    64    35.00000  109.50000
   71    63    69    90.00000  108.56700
   71    50    51    35.00000  109.50000
   50    38    39    37.50000  110.70000
   50    38    44    63.00000  111.10000
   50    47    48    70.00000  112.02700
   50    47    69    58.35000  112.70000
   59    56    57    65.00000  118.96000
   59    62    65    83.00000  116.90000
   62    59    60    83.00000  123.40000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    38    50   0.44750  1.0 1.0
   29    33    38    50  -0.17800 -1.0 2.0
   29    33    38    50   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    46   0.36750  1.0 3.0
   33    38    50    47   0.56750  1.0 1.0
   33    38    50    47  -0.07550 -1.0 2.0
   33    38    50    47   0.20000  1.0 3.0
   33    38    50    71   0.62750  1.0 1.0
   33    38    50    71  -0.30950 -1.0 2.0
   33    38    50    71   0.27300  1.0 3.0
   33    38    50    51   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    44  -0.11250  1.0 3.0
   34    33    38    50   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    43   0.15000  1.0 3.0
   38    44   -46    47   1.63150  1.0 1.0
   38    44   -46    47   2.92000 -1.0 2.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    46   0.00000  1.0 1.0
   39    38    50    47   0.15000  1.0 3.0
   39    38    50    71   0.23400  1.0 3.0
   39    38    50    51   0.15000  1.0 3.0
   44    38   -50    47  -0.95700  1.0 1.0
   44    38   -50    47  -0.18200 -1.0 2.0
   44    38   -50    47   0.29450  1.0 3.0
   44    38    50    71  -0.09450  1.0 1.0
   44    38    50    71  -1.12950 -1.0 2.0
   44    38    50    71   0.54000  1.0 3.0
   44    38    50    51  -0.11250  1.0 3.0
   44    46    47    48  -0.82050  1.0 1.0
   44    46    47    48   0.00600 -1.0 2.0
   44    46    47    48   0.04400  1.0 3.0
   44    46    47    69  -0.25900  1.0 1.0
   44    46    47    69  -0.47000 -1.0 2.0
   44    46    47    69   0.11750  1.0 3.0
   44    46   -47    50  -0.25900  1.0 1.0
   44    46   -47    50  -0.47000 -1.0 2.0
   44    46   -47    50   0.11750  1.0 3.0
   45    44    46    47   3.00000 -1.0 2.0
   46    47    48    49   0.00000  1.0 1.0
   46    47    48    52   0.39000  1.0 1.0
   46    47    48    52  -0.05800 -1.0 2.0
   46    47    48    52  -0.55150  1.0 3.0
   46    47    69    54   0.62750  1.0 1.0
   46    47    69    54  -0.30950 -1.0 2.0
   46    47    69    54   0.27300  1.0 3.0
   46    47    69    63   0.62750  1.0 1.0
   46    47    69    63  -0.30950 -1.0 2.0
   46    47    69    63   0.27300  1.0 3.0
   46    47    69    70   0.23400  1.0 3.0
   46    47   -50    38   0.62750  1.0 1.0
   46    47   -50    38  -0.30950 -1.0 2.0
   46    47   -50    38   0.27300  1.0 3.0
   46    47    50    71   1.11900  1.0 1.0
   46    47    50    71  -1.16350 -1.0 2.0
   46    47    50    71  -0.34150  1.0 3.0
   46    47    50    51   0.23400  1.0 3.0
   47    48    52    53   7.00000 -1.0 2.0
   47    48   -52    54   7.00000 -1.0 2.0
   48    47   -69    54   0.34400  1.0 1.0
   48    47   -69    54   0.09450 -1.0 2.0
   48    47   -69    54   0.11100  1.0 3.0
   48    47    69    63   0.34400  1.0 1.0
   48    47    69    63   0.09450 -1.0 2.0
   48    47    69    63   0.11100  1.0 3.0
   48    47    69    70   0.15000  1.0 3.0
   48    47    50    38   0.34400  1.0 1.0
   48    47    50    38   0.09450 -1.0 2.0
   48    47    50    38   0.11100  1.0 3.0
   48    47    50    71   0.61850  1.0 1.0
   48    47    50    71  -0.22750 -1.0 2.0
   48    47    50    71   0.15300  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    52    54    55   0.00000  1.0 1.0
   48    52    54    56  -0.28300  1.0 1.0
   48    52    54    56   0.26700 -1.0 2.0
   48    52    54    56  -0.63300  1.0 3.0
   48    52   -54    69   0.09850  1.0 1.0
   48    52   -54    69   0.15250 -1.0 2.0
   48    52   -54    69  -0.50650  1.0 3.0
   49    48    52    53   7.00000 -1.0 2.0
   49    48    52    54   7.00000 -1.0 2.0
   52    54    56    57  -0.28300  1.0 1.0
   52    54    56    57   0.26700 -1.0 2.0
   52    54    56    57  -0.63300  1.0 3.0
   52    54    56    59   0.09700  1.0 1.0
   52    54    56    59   0.15600 -1.0 2.0
   52    54    56    59  -0.50800  1.0 3.0
   52    54   -69    47   0.34400  1.0 1.0
   52    54   -69    47   0.09450 -1.0 2.0
   52    54   -69    47   0.11100  1.0 3.0
   52    54    69    63   0.34400  1.0 1.0
   52    54    69    63   0.09450 -1.0 2.0
   52    54    69    63   0.11100  1.0 3.0
   52    54    69    70   0.15000  1.0 3.0
   53    52    54    55   0.33100  1.0 3.0
   53    52    54    56   0.00000  1.0 1.0
   53    52    54    69   0.00000  1.0 1.0
   54    56    57    58   7.00000 -1.0 2.0
   54    56    57    61   7.00000 -1.0 2.0
   54    56    59    60  -0.64400  1.0 1.0
   54    56    59    60   0.26850 -1.0 2.0
   54    56    59    62  -0.15000  1.0 1.0
   54    56    59    62   0.89550 -1.0 2.0
   54    56    59    62  -0.06900  1.0 3.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    59   0.15000  1.0 3.0
   55    54    69    47   0.15000  1.0 3.0
   55    54    69    63   0.15000  1.0 3.0
   55    54    69    70   0.15000  1.0 3.0
   56    54    69    47   0.34400  1.0 1.0
   56    54    69    47   0.09450 -1.0 2.0
   56    54    69    47   0.11100  1.0 3.0
   56    54    69    63   0.34400  1.0 1.0
   56    54    69    63   0.09450 -1.0 2.0
   56    54    69    63   0.11100  1.0 3.0
   56    54    69    70   0.15000  1.0 3.0
   56    57   -61    63  -2.26850  1.0 1.0
   56    57   -61    63   3.39050 -1.0 2.0
   56    59    62    65   2.00000 -1.0 2.0
   57    56    59    60   1.00000 -1.0 2.0
   57    56    59    62  -0.56150  1.0 1.0
   57    56    59    62   2.19150 -1.0 2.0
   57    61    63    64   0.08050  1.0 3.0
   57    61    63    69  -0.46850  1.0 1.0
   57    61    63    69   0.09300 -1.0 2.0
   57    61    63    69  -0.12850  1.0 3.0
   57    61    63    71  -0.48150  1.0 1.0
   57    61    63    71   0.09250 -1.0 2.0
   57    61    63    71  -0.12850  1.0 3.0
   58    57    61    63   0.50000 -1.0 2.0
   61    63    69    47   0.62750  1.0 1.0
   61    63    69    47  -0.30950 -1.0 2.0
   61    63    69    47   0.27300  1.0 3.0
   61    63   -69    54   0.62750  1.0 1.0
   61    63   -69    54  -0.30950 -1.0 2.0
   61    63   -69    54   0.27300  1.0 3.0
   61    63    69    70   0.23400  1.0 3.0
   61    63    71    50  -0.53350  1.0 1.0
   61    63    71    50  -0.78350 -1.0 2.0
   61    63    71    50   0.33750  1.0 3.0
   63    71    50    38   0.06250  1.0 1.0
   63    71    50    38  -0.01100 -1.0 2.0
   63    71    50    38   0.28050  1.0 3.0
   63    71   -50    47   0.06250  1.0 1.0
   63    71   -50    47  -0.01100 -1.0 2.0
   63    71   -50    47   0.28050  1.0 3.0
   63    71    50    51   0.37050  1.0 3.0
   64    63    69    47   0.15000  1.0 3.0
   64    63    69    54   0.15000  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    71    50   0.37050  1.0 3.0
   69    47    48    49   0.00000  1.0 1.0
   69    47   -48    52   0.09850  1.0 1.0
   69    47   -48    52   0.15250 -1.0 2.0
   69    47   -48    52  -0.50650  1.0 3.0
   69    47    50    38   0.56750  1.0 1.0
   69    47    50    38  -0.07550 -1.0 2.0
   69    47    50    38   0.20000  1.0 3.0
   69    47   -50    71   0.62750  1.0 1.0
   69    47   -50    71  -0.30950 -1.0 2.0
   69    47   -50    71   0.27300  1.0 3.0
   69    47    50    51   0.15000  1.0 3.0
   69    54   -56    57   0.09850  1.0 1.0
   69    54   -56    57   0.15250 -1.0 2.0
   69    54   -56    57  -0.50650  1.0 3.0
   69    54    56    59   0.09700  1.0 1.0
   69    54    56    59   0.15600 -1.0 2.0
   69    54    56    59  -0.50800  1.0 3.0
   69    63   -71    50   0.06250  1.0 1.0
   69    63   -71    50  -0.01100 -1.0 2.0
   69    63   -71    50   0.28050  1.0 3.0
   71    63   -69    47   0.62750  1.0 1.0
   71    63   -69    47  -0.30950 -1.0 2.0
   71    63   -69    47   0.27300  1.0 3.0
   71    63    69    54   0.62750  1.0 1.0
   71    63    69    54  -0.30950 -1.0 2.0
   71    63    69    54   0.27300  1.0 3.0
   71    63    69    70   0.23400  1.0 3.0
   50    38    44    45   0.30150 -1.0 2.0
   50    38   -44    46   0.36750  1.0 3.0
   50    47    48    49   0.00000  1.0 1.0
   50    47    48    52   0.09850  1.0 1.0
   50    47    48    52   0.15250 -1.0 2.0
   50    47    48    52  -0.50650  1.0 3.0
   50    47    69    54   0.56750  1.0 1.0
   50    47    69    54  -0.07550 -1.0 2.0
   50    47    69    54   0.20000  1.0 3.0
   50    47   -69    63   3.97050  1.0 1.0
   50    47    69    70   0.15000  1.0 3.0
   59    56    57    58   7.00000 -1.0 2.0
   59    56    57    61   7.00000 -1.0 2.0
   59    62    65    66   0.08050  1.0 3.0
   59    62    65    67   0.08050  1.0 3.0
   59    62    65    68   0.08050  1.0 3.0
   60    59    62    65   3.00000 -1.0 2.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    44  -0.95700  1.0 1.0
   40    33    38    44  -0.18200 -1.0 2.0
   40    33    38    44   0.29450  1.0 3.0
   40    33    38    50   0.56750  1.0 1.0
   40    33    38    50  -0.07550 -1.0 2.0
   40    33    38    50   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    46    44    45  10.50000 -1.0 2.0
   47    49    48    52   1.10000 -1.0 2.0
   54    53    52    48   1.10000 -1.0 2.0
   54    59    56    57   1.10000 -1.0 2.0
   61    58    57    56   1.10000 -1.0 2.0
   56    62    59    60  10.50000 -1.0 2.0
END
