* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    137    222     411
    1     0 S   NP   _N1_     1    29.09570    92.89872   -22.27402
    2     1 S   H    _HN1     2     1.02780    92.43355   -95.92646
    3     1 S   H    _H1_     3     1.02957    98.29563    12.99166
    4     1 S   H    _H2_     4     1.02840    21.99906   128.46588
    5     1 S   CT   _CA1     5     1.50107   132.36107   140.60573
    6     5 S   HC   _HA1     6     1.09567   105.28619    54.45355
    7     5 S   CO3  _C1_     7     1.53816   112.27946   -65.91596
    8     7 S   O2Z  _O11     8     1.26366   115.00320   -45.52232
    9     7 S   O2Z  _O12     9     1.26230   114.91329   133.63981
   10     5 S   CT   _CB1    10     1.53064   107.44280   172.47647
   11    10 S   HC   HB11    11     1.09823   109.51205   -49.74732
   12    10 S   HC   HB12    12     1.09828   110.32223    66.80615
   13    10 S   CT   _CG1    13     1.53043   112.65662  -170.81502
   14    13 S   HC   HG11    14     1.09588   110.40950   -60.04306
   15    13 S   HC   HG12    15     1.09620   110.15027    59.27292
   16    13 S   C    _CD1    16     1.51731   112.03944   179.66721
   17    16 S   O    _OE1    17     1.22744   123.15902    -7.25490
   18    16 S   N    _N2_    18     1.38636   111.83534   172.68992
   19    18 S   H    _HN2    19     1.01572   119.25630     3.15709
   20    18 S   CT1  _CA2    20     1.46066   123.02185  -175.98278
   21    20 S   HC   _HA2    21     1.09560   109.13225    -5.14807
   22    20 S   C    _C2_    22     1.53417   109.24107  -120.44134
   23    22 S   O    _O2_    23     1.23046   122.02143  -148.66958
   24    20 S   CT   _CB2    32     1.53558   111.74076   116.75669
   25    24 S   HC   HB21    33     1.09673   109.34088    68.29213
   26    24 S   HC   HB22    34     1.09544   110.81886  -174.83897
   27    22 S   N    _N3_    24     1.38446   113.60000    38.86094
   28    27 S   H    _HN3    25     1.01505   118.93863    -0.73993
   29    24 S   S    _SG2    35     1.83020   114.93837   -50.69278
   30    27 S   CT   _CA3    26     1.45445   123.45748   174.85688
   31    30 S   HC   HA31    27     1.09522   109.27032    24.27577
   32    30 S   HC   HA32    28     1.09496   107.13357   141.29386
   33    29 S   CT   _C11    36     1.82265   101.01367   -68.13171
   34    33 S   HC   _H3_    37     1.09330   109.67319    37.64423
   35    30 S   CO3  _C3_    29     1.52919   113.01540   -99.20648
   36    35 S   O2Z  _O31    30     1.26407   115.35951   -45.77252
   37    35 S   O2Z  _O32    31     1.26346   115.01391   135.12109
   38    33 S   CM   _C4_    38     1.49156   108.66341   -83.32420
   39    38 S   HC   _H20    39     1.08356   122.42267    71.94043
   40    38 S   CMA  _C5_    40     1.34525   114.33691  -107.47402
   41    40 S   OM   _O16    41     1.25776   131.60464   178.22723
   42    40 S   CT   _C16    42     1.57244   110.75671     0.35054
   43    33 S   CT   _C13    43     1.55102   119.08504   162.85736
   44    43 S   HC   _H29    44     1.10830   101.43426  -163.28228
   45    42 S   CT   _C15    59     1.57511   114.16868  -133.56735
   46    45 S   HC   _H31    60     1.09880   107.83855    55.32210
   47    42 S   CT   _C18    68     1.54154   107.73745   102.01485
   48    47 S   HC   _H35    69     1.08959   112.76211  -178.75620
   49    47 S   HC   _H36    70     1.09660   111.27904    62.04186
   50    47 S   HC   _H37    71     1.09331   112.44476   -57.20738
   51    43 S   CT   _C14    45     1.54643   117.52194   -54.23962
   52    51 S   HC   _H30    46     1.10017   105.36570   -49.85471
   53    51 S   CT   _C10    47     1.54031   111.33278  -162.31400
   54    53 S   HC   _H25    48     1.09863   107.79544   168.66872
   55    53 S   HC   _H26    49     1.09727   110.39336    54.05493
   56    51 S   CT   _C17    64     1.53104   118.73125    66.92723
   57    56 S   HC   _H32    65     1.08899   113.56431    44.43447
   58    56 S   HC   _H33    66     1.09250   111.23842   -77.88026
   59    56 S   HC   _H34    67     1.09628   110.76474   165.32810
   60    53 S   CT   _C9_    50     1.51950   114.57257   -71.07594
   61    60 S   HC   _H23    51     1.09967   107.02773  -154.52185
   62    60 S   HC   _H24    52     1.09405   110.78595   -41.17048
   63    60 S   CT   _C12    53     1.52758   114.87025    86.74105
   64    63 S   HC   _H28    54     1.10121   106.70679    74.90550
   65    63 S   CM   _C6_    55     1.49555   114.27801  -168.59708
   66    65 S   CO4  _C7_    56     1.47091   108.66021   151.75364
   67    66 S   O    _O17    57     1.21755   127.11680   170.82069
   68    65 S   CM   _C8_    61     1.33673   130.34615   -26.95708
   69    68 S   HC   _H21    62     1.08439   121.33514    -1.03609
   70    68 S   HC   _H22    63     1.08539   121.64902   179.18483
   71    66 S   OS   _O18    58     1.35676   106.78806    -7.88192
  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   9   5   4   3
  14   7   2   1   1   9   4  13   4  18  19   6  17   7   6   2
   1   1  12   8  12   6   5   4   2   1   1   8   4   3   8   4
   6   5   2   3   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    43    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    43    44    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    51    52    53    45    56    47  
   38    39    40    42    43    44    51  
   36    37  
   37  
    0  
   39    40    41    42    43    44    51    45    47  
   40    41    42    43  
   41    42    43    44    51    63    71    45    46    47    48    49    50  
   42    43    45    47  
   43    44    51    52    53    60    63    64    65    66    71    45    46    56    47    48    49    50  
   44    51    52    53    54    55    60    63    71    45    46    56    57    58    59    47    48    49    50  
   51    52    53    45    56    47  
   46    68    47    48    49    50    51    53    60    61    62    63    64    65    66    67    71  
   47    60    63    64    65    66    71  
   48    49    50    51    63    71  
   49    50  
   50  
    0  
   52    53    54    55    60    61    62    63    56    57    58    59  
   53    54    55    60    56    57    58    59  
   54    55    60    61    62    63    64    65    56    57    58    59  
   55    60    61    62    63    56  
   60    61    62    63    56  
   57    58    59    60  
   58    59  
   59  
    0  
   61    62    63    64    65    66    71    68  
   62    63    64    65  
   63    64    65  
   64    65    66    67    71    68    69    70  
   65    66    71    68  
   66    67    71    68    69    70  
   67    71    68    69    70  
   71    68  
   69    70    71  
   70  
    0  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   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   317.000  1.510
   33    43   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   268.000  1.529
   42    45   268.000  1.529
   42    47   268.000  1.529
   43    44   340.000  1.090
   43    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   317.000  1.510
   63    45   268.000  1.529
   65    66   320.000  1.462
   65    68   549.000  1.340
   66    67   570.000  1.229
   66    71   214.000  1.327
   71    45   320.000  1.410
   45    46   340.000  1.090
   68    69   340.000  1.080
   68    70   340.000  1.080
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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  112.20000
   29    33    43    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    43    42    58.35000  112.70000
   33    43    44    37.50000  110.70000
   33    43    51    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  112.02700
   40    42    45    70.00000  112.02700
   40    42    47    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    43    44    37.50000  110.70000
   42    43    51    58.35000  112.70000
   42    45    63    58.35000  112.70000
   42    45    71    50.00000  109.50000
   42    45    46    37.50000  110.70000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    50    37.50000  110.70000
   43    33    34    37.50000  110.70000
   43    33    38    70.00000  112.02700
   43    51    52    37.50000  110.70000
   43    51    53    58.35000  112.70000
   43    51    56    58.35000  112.70000
   51    43    44    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    60    58.35000  112.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    59    37.50000  110.70000
   53    51    52    37.50000  110.70000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    63    58.35000  112.70000
   55    53    54    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    55    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    70.00000  112.02700
   60    63    45    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    65    66    65.00000  116.34900
   63    65    68    70.00000  124.00000
   63    45    71    50.00000  109.50000
   63    45    46    37.50000  110.70000
   65    63    64    35.00000  109.50000
   65    66    67    80.00000  123.72100
   65    66    71    90.00000  111.29400
   65    68    69    35.00000  120.00000
   65    68    70    35.00000  120.00000
   66    71    45    83.00000  116.90000
   71    66    67    83.00000  123.40000
   71    45    46    35.00000  109.50000
   45    42    43    58.35000  112.70000
   45    63    64    37.50000  110.70000
   45    63    65    70.00000  112.02700
   68    65    66    65.00000  118.96000
   70    68    69    35.00000  117.00000
   56    51    52    37.50000  110.70000
   56    51    53    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   47    42    43    58.35000  112.70000
   47    42    45    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    43    42   0.44750  1.0 1.0
   29    33    43    42  -0.17800 -1.0 2.0
   29    33    43    42   0.20200  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    51   0.44750  1.0 1.0
   29    33    43    51  -0.17800 -1.0 2.0
   29    33    43    51   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    42   7.00000 -1.0 2.0
   33    43    51    52   0.15000  1.0 3.0
   33    43    51    53   0.56750  1.0 1.0
   33    43    51    53  -0.07550 -1.0 2.0
   33    43    51    53   0.20000  1.0 3.0
   33    43    51    56   0.56750  1.0 1.0
   33    43    51    56  -0.07550 -1.0 2.0
   33    43    51    56   0.20000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    43    42   0.15000  1.0 3.0
   34    33    43    44   0.15000  1.0 3.0
   34    33    43    51   0.15000  1.0 3.0
   38    33   -43    42   0.34400  1.0 1.0
   38    33   -43    42   0.09450 -1.0 2.0
   38    33   -43    42   0.11100  1.0 3.0
   38    33    43    44   0.15000  1.0 3.0
   38    33    43    51   0.34400  1.0 1.0
   38    33    43    51   0.09450 -1.0 2.0
   38    33    43    51   0.11100  1.0 3.0
   38    40   -42    43   0.09850  1.0 1.0
   38    40   -42    43   0.15250 -1.0 2.0
   38    40   -42    43  -0.50650  1.0 3.0
   38    40    42    45   0.09850  1.0 1.0
   38    40    42    45   0.15250 -1.0 2.0
   38    40    42    45  -0.50650  1.0 3.0
   38    40    42    47   0.09850  1.0 1.0
   38    40    42    47   0.15250 -1.0 2.0
   38    40    42    47  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42   -43    33   0.34400  1.0 1.0
   40    42   -43    33   0.09450 -1.0 2.0
   40    42   -43    33   0.11100  1.0 3.0
   40    42    43    44   0.15000  1.0 3.0
   40    42    43    51   0.34400  1.0 1.0
   40    42    43    51   0.09450 -1.0 2.0
   40    42    43    51   0.11100  1.0 3.0
   40    42    45    63   0.34400  1.0 1.0
   40    42    45    63   0.09450 -1.0 2.0
   40    42    45    63   0.11100  1.0 3.0
   40    42    45    71   0.61850  1.0 1.0
   40    42    45    71  -0.22750 -1.0 2.0
   40    42    45    71   0.15300  1.0 3.0
   40    42    45    46   0.15000  1.0 3.0
   40    42    47    48   0.15000  1.0 3.0
   40    42    47    49   0.15000  1.0 3.0
   40    42    47    50   0.15000  1.0 3.0
   41    40    42    43   0.09700  1.0 1.0
   41    40    42    43   0.15600 -1.0 2.0
   41    40    42    43  -0.50800  1.0 3.0
   41    40    42    45   0.09700  1.0 1.0
   41    40    42    45   0.15600 -1.0 2.0
   41    40    42    45  -0.50800  1.0 3.0
   41    40    42    47   0.09700  1.0 1.0
   41    40    42    47   0.15600 -1.0 2.0
   41    40    42    47  -0.50800  1.0 3.0
   42    43    51    52   0.15000  1.0 3.0
   42    43    51    53   0.56750  1.0 1.0
   42    43    51    53  -0.07550 -1.0 2.0
   42    43    51    53   0.20000  1.0 3.0
   42    43    51    56   0.56750  1.0 1.0
   42    43    51    56  -0.07550 -1.0 2.0
   42    43    51    56   0.20000  1.0 3.0
   43    33    38    39   0.00000  1.0 1.0
   43    33   -38    40   0.09850  1.0 1.0
   43    33   -38    40   0.15250 -1.0 2.0
   43    33   -38    40  -0.50650  1.0 3.0
   43    42    45    63   0.56750  1.0 1.0
   43    42    45    63  -0.07550 -1.0 2.0
   43    42    45    63   0.20000  1.0 3.0
   43    42    45    71   0.62750  1.0 1.0
   43    42    45    71  -0.30950 -1.0 2.0
   43    42    45    71   0.27300  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    50   0.15000  1.0 3.0
   43    51    53    54   0.15000  1.0 3.0
   43    51    53    55   0.15000  1.0 3.0
   43    51    53    60   0.56750  1.0 1.0
   43    51    53    60  -0.07550 -1.0 2.0
   43    51    53    60   0.20000  1.0 3.0
   43    51    56    57   0.15000  1.0 3.0
   43    51    56    58   0.15000  1.0 3.0
   43    51    56    59   0.15000  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    53   0.15000  1.0 3.0
   44    43    51    56   0.15000  1.0 3.0
   51    53    60    61   0.15000  1.0 3.0
   51    53    60    62   0.15000  1.0 3.0
   51    53    60    63   0.56750  1.0 1.0
   51    53    60    63  -0.07550 -1.0 2.0
   51    53    60    63   0.20000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    60   0.15000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    59   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    59   0.15000  1.0 3.0
   53    60    63    64   0.15000  1.0 3.0
   53    60    63    65   0.34400  1.0 1.0
   53    60    63    65   0.09450 -1.0 2.0
   53    60    63    65   0.11100  1.0 3.0
   53    60    63    45   0.56750  1.0 1.0
   53    60    63    45  -0.07550 -1.0 2.0
   53    60    63    45   0.20000  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    63   0.15000  1.0 3.0
   55    53    60    61   0.15000  1.0 3.0
   55    53    60    62   0.15000  1.0 3.0
   55    53    60    63   0.15000  1.0 3.0
   60    63    65    66   0.09700  1.0 1.0
   60    63    65    66   0.15600 -1.0 2.0
   60    63    65    66  -0.50800  1.0 3.0
   60    63    65    68   0.09850  1.0 1.0
   60    63    65    68   0.15250 -1.0 2.0
   60    63    65    68  -0.50650  1.0 3.0
   60    63    45    42   0.56750  1.0 1.0
   60    63    45    42  -0.07550 -1.0 2.0
   60    63    45    42   0.20000  1.0 3.0
   60    63    45    71   0.62750  1.0 1.0
   60    63    45    71  -0.30950 -1.0 2.0
   60    63    45    71   0.27300  1.0 3.0
   60    63    45    46   0.15000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    45   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    45   0.15000  1.0 3.0
   63    65    66    67  -0.64400  1.0 1.0
   63    65    66    67   0.26850 -1.0 2.0
   63    65   -66    71  -0.15000  1.0 1.0
   63    65   -66    71   0.89550 -1.0 2.0
   63    65   -66    71  -0.06900  1.0 3.0
   63    65    68    69   7.00000 -1.0 2.0
   63    65    68    70   7.00000 -1.0 2.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    68   0.00000  1.0 1.0
   64    63    45    42   0.15000  1.0 3.0
   64    63    45    71   0.23400  1.0 3.0
   64    63    45    46   0.15000  1.0 3.0
   65    63    45    42   0.34400  1.0 1.0
   65    63    45    42   0.09450 -1.0 2.0
   65    63    45    42   0.11100  1.0 3.0
   65    63   -45    71   0.61850  1.0 1.0
   65    63   -45    71  -0.22750 -1.0 2.0
   65    63   -45    71   0.15300  1.0 3.0
   65    63    45    46   0.15000  1.0 3.0
   65    66   -71    45   2.00000 -1.0 2.0
   66    65    68    69   7.00000 -1.0 2.0
   66    65    68    70   7.00000 -1.0 2.0
   66    71    45    42  -0.25900  1.0 1.0
   66    71    45    42  -0.47000 -1.0 2.0
   66    71    45    42   0.11750  1.0 3.0
   66    71   -45    63  -0.25900  1.0 1.0
   66    71   -45    63  -0.47000 -1.0 2.0
   66    71   -45    63   0.11750  1.0 3.0
   66    71    45    46   0.08050  1.0 3.0
   67    66    71    45   3.00000 -1.0 2.0
   45    42    43    33   0.56750  1.0 1.0
   45    42    43    33  -0.07550 -1.0 2.0
   45    42    43    33   0.20000  1.0 3.0
   45    42    43    44   0.15000  1.0 3.0
   45    42    43    51   0.56750  1.0 1.0
   45    42    43    51  -0.07550 -1.0 2.0
   45    42    43    51   0.20000  1.0 3.0
   45    42    47    48   0.15000  1.0 3.0
   45    42    47    49   0.15000  1.0 3.0
   45    42    47    50   0.15000  1.0 3.0
   45    63   -65    66   0.09700  1.0 1.0
   45    63   -65    66   0.15600 -1.0 2.0
   45    63   -65    66  -0.50800  1.0 3.0
   45    63    65    68   0.09850  1.0 1.0
   45    63    65    68   0.15250 -1.0 2.0
   45    63    65    68  -0.50650  1.0 3.0
   68    65    66    67   1.00000 -1.0 2.0
   68    65    66    71  -0.56150  1.0 1.0
   68    65    66    71   2.19150 -1.0 2.0
   56    51    53    54   0.15000  1.0 3.0
   56    51    53    55   0.15000  1.0 3.0
   56    51    53    60   0.56750  1.0 1.0
   56    51    53    60  -0.07550 -1.0 2.0
   56    51    53    60   0.20000  1.0 3.0
   47    42    43    33   0.56750  1.0 1.0
   47    42    43    33  -0.07550 -1.0 2.0
   47    42    43    33   0.20000  1.0 3.0
   47    42    43    44   0.15000  1.0 3.0
   47    42    43    51   0.56750  1.0 1.0
   47    42    43    51  -0.07550 -1.0 2.0
   47    42    43    51   0.20000  1.0 3.0
   47    42    45    63   0.56750  1.0 1.0
   47    42    45    63  -0.07550 -1.0 2.0
   47    42    45    63   0.20000  1.0 3.0
   47    42    45    71   0.62750  1.0 1.0
   47    42    45    71  -0.30950 -1.0 2.0
   47    42    45    71   0.27300  1.0 3.0
   47    42    45    46   0.15000  1.0 3.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   63    66    65    68   1.10000 -1.0 2.0
   65    71    66    67  10.50000 -1.0 2.0
   69    70    68    65   1.10000 -1.0 2.0
END
