* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    133    201     381
    1     0 S   NP   _N1_     1    28.67273    96.74994   -21.79521
    2     1 S   H    _HN1     2     1.02784    92.74304   -90.13116
    3     1 S   H    _H1_     3     1.02951    72.81217    18.23708
    4     1 S   H    _H2_     4     1.02831    44.58162   156.95904
    5     1 S   CT   _CA1     5     1.50100   151.08351   119.48088
    6     5 S   HC   _HA1     6     1.09571   105.23020    86.36179
    7     5 S   CO3  _C1_     7     1.53808   112.46857   -33.92973
    8     7 S   O2Z  _O11     8     1.26368   115.00574   -42.59898
    9     7 S   O2Z  _O12     9     1.26241   114.95633   136.64802
   10     5 S   CT   _CB1    10     1.53095   107.44405  -155.61567
   11    10 S   HC   HB11    11     1.09827   109.43746   -49.85327
   12    10 S   HC   HB12    12     1.09815   110.41370    66.77888
   13    10 S   CT   _CG1    13     1.52968   112.56095  -170.85703
   14    13 S   HC   HG11    14     1.09565   110.53085   -63.93828
   15    13 S   HC   HG12    15     1.09666   109.85721    55.23365
   16    13 S   C    _CD1    16     1.51790   112.35405   175.70682
   17    16 S   O    _OE1    17     1.22712   123.32521     3.07536
   18    16 S   N    _N2_    18     1.38620   111.56675  -176.94629
   19    18 S   H    _HN2    19     1.01583   118.95065     1.89599
   20    18 S   CT1  _CA2    20     1.46157   123.49952   178.21842
   21    20 S   HC   _HA2    21     1.09729   109.46331    -0.03956
   22    20 S   C    _C2_    22     1.53549   108.43451  -115.55052
   23    22 S   O    _O2_    23     1.23050   122.36967  -147.53933
   24    20 S   CT   _CB2    32     1.53359   111.44429   122.19497
   25    24 S   HC   HB21    33     1.09382   109.63469    56.58310
   26    24 S   HC   HB22    34     1.09337   109.51427   174.79000
   27    22 S   N    _N3_    24     1.38354   113.62536    39.86680
   28    27 S   H    _HN3    25     1.01598   119.57289    -3.32384
   29    24 S   S    _SG2    35     1.82916   111.44936   -66.93500
   30    27 S   CT   _CA3    26     1.45284   123.16127   177.13796
   31    30 S   HC   HA31    27     1.09550   107.50472   -64.61691
   32    30 S   HC   HA32    28     1.09558   107.98408    51.80984
   33    29 S   CT   _C17    36     1.87150   102.08530   142.10626
   34    30 S   CO3  _C3_    29     1.52946   114.10675   173.81208
   35    34 S   O2Z  _O31    30     1.26373   116.06829    -0.69942
   36    34 S   O2Z  _O32    31     1.26431   114.40828   179.36050
   37    33 S   CT   _C16    37     1.54642   105.57717  -166.62200
   38    37 S   HC   _H9_    38     1.09650   111.24029    64.24135
   39    37 S   HC   _H10    39     1.09634   112.10727   -55.74288
   40    33 S   OS   _O36    69     1.44816   111.12206   -45.23337
   41    37 S   CO4  _C15    40     1.51368   112.17471  -175.97333
   42    41 S   O    _O35    41     1.23003   121.54617  -153.15459
   43    40 S   CT   _C18    70     1.41979   117.94554   -70.85911
   44    43 S   HC   _H11    71     1.09371   107.87769   165.98055
   45    43 S   HC   _H12    72     1.09201   112.32517    46.85418
   46    43 S   HC   _H13    73     1.09320   110.46807   -76.68588
   47    41 S   CM   _C14    42     1.47988   119.00451    29.43309
   48    47 S   HC   _H8_    43     1.08500   116.82544   179.02944
   49    47 S   CM   _C13    44     1.34034   120.04424     0.04846
   50    33 S   CT   _C11    45     1.57147   113.13164    73.99177
   51    49 S   CO4  _C19    62     1.48186   114.11523  -179.22899
   52    51 S   O    _O37    63     1.22211   123.92103    51.90118
   53    50 S   CO4  _C12    46     1.52594   114.24221    45.72260
   54    53 S   O    _O34    47     1.21748   126.67816    62.37289
   55    50 S   OS   _O33    57     1.45269   109.76158   -71.72789
   56    51 S   OS   _O38    64     1.35652   109.21603  -126.85715
   57    53 S   CA   _C8_    48     1.45527   107.67048  -119.05372
   58    56 S   CT   _C20    65     1.42991   115.42962  -179.22874
   59    58 S   HC   _H14    66     1.09327   108.08258   178.46749
   60    58 S   HC   _H15    67     1.09427   110.31493    59.81430
   61    58 S   HC   _H16    68     1.09410   110.24460   -62.79482
   62    57 S   CA   _C7_    49     1.40026   130.67600   179.80416
   63    62 S   OM   _O39    50     1.27607   125.13631    -0.72335
   64    62 S   CA   _C6_    51     1.41709   112.34733   179.15050
   65    64 S   HA   _H6_    52     1.09288   118.24992  -179.66898
   66    64 S   CA   _C5_    53     1.41823   124.20373     0.33688
   67    66 S   CA   _C10    54     1.39417   119.58786    -1.18844
   68    67 S   HA   _H7_    55     1.08467   121.43894  -179.09000
   69    66 S   CT   _C4_    58     1.49986   119.94989  -178.62784
   70    69 S   HC   _H3_    59     1.09429   109.97955    84.95599
   71    69 S   HC   _H4_    60     1.09513   111.01374  -154.60662
   72    69 S   HC   _H5_    61     1.09502   110.80671   -35.59850
   73    57 S   CA   _C9_    56     1.38845   104.55176    -1.23891
  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  11   5   4   3
  19   2   1   1  12   6   5   9   6   3   4   2   1   1   8   3
  10  10   8   2   8   4   6   4   8   3   2   1   1   7   4   9
   3   7   6   2   4   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    49    50    53    55    40    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    47    49    50    53    54    57    73    55    51    40    43    44    45    46  
   35    36  
   36  
    0  
   38    39    41    42    47    48    49    50    53    55    40    43  
   39    41    42    47    50    40  
   41    42    47    50    40  
   43    44    45    46    41    49    50    53    55  
   42    47    48    49    50    51  
   47    48    49  
   44    45    46    50  
   45    46  
   46  
    0  
   48    49    50    53    55    51    52    56  
   49    50    51  
   50    53    54    57    73    55    51    52    56    58  
   53    54    57    62    67    73    55    51    52    56  
   52    56    58    59    60    61    53    55  
   56    58  
   54    57    62    63    64    67    73    55  
   57    62    73    55  
   57    62    66    67    68    73  
   58    59    60    61  
   62    63    64    65    66    67    68    73  
   59    60    61  
   60    61  
   61  
    0  
   63    64    65    66    67    73    69  
   64    65    66    73  
   65    66    67    68    73    69    70    71    72  
   66    67    69  
   67    68    73    69    70    71    72  
   68    73    69    70    71    72  
   73    69  
   70    71    72    73  
   71    72  
   72  
    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  -0.316400   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   0.348900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   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   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.317000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    50   268.000  1.529
   33    40   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   317.000  1.522
   41    42   570.000  1.229
   41    47   320.000  1.462
   47    48   340.000  1.080
   47    49   549.000  1.340
   49    50   317.000  1.510
   49    51   320.000  1.462
   50    53   317.000  1.522
   50    55   320.000  1.410
   53    54   570.000  1.229
   53    57   310.000  1.470
   57    62   469.000  1.400
   57    73   469.000  1.400
   62    63   450.000  1.364
   62    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   469.000  1.400
   66    69   317.000  1.510
   67    68   367.000  1.080
   67    73   469.000  1.400
   73    55   450.000  1.364
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   51    52   570.000  1.229
   51    56   214.000  1.327
   56    58   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   40    43   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    50    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    50    49    70.00000  112.02700
   33    50    53    63.00000  111.10000
   33    50    55    50.00000  109.50000
   33    40    43    60.00000  109.50000
   37    41    42    80.00000  120.40000
   37    41    47    65.00000  118.62400
   39    37    38    33.00000  107.80000
   41    37    38    35.00000  109.50000
   41    37    39    35.00000  109.50000
   41    47    48    40.00000  117.72500
   41    47    49    65.00000  118.96000
   47    41    42    80.00000  123.72100
   47    49    50    70.00000  124.00000
   47    49    51    65.00000  118.96000
   49    47    48    35.00000  120.00000
   49    50    53    70.00000  109.06800
   49    50    55    85.00000  110.90400
   49    51    52    80.00000  123.72100
   49    51    56    90.00000  111.29400
   50    33    37    58.35000  112.70000
   50    53    54    80.00000  120.40000
   50    53    57    65.00000  115.47100
   50    55    73    75.00000  111.00000
   53    57    62    60.00000  119.52600
   53    57    73    60.00000  119.52600
   57    53    54    75.00000  123.78400
   57    62    63    70.00000  120.00000
   57    62    64    63.00000  120.00000
   57    73    67    63.00000  120.00000
   57    73    55    70.00000  120.00000
   62    64    65    35.00000  120.00000
   62    64    66    63.00000  120.00000
   64    62    63    70.00000  120.00000
   64    66    67    63.00000  120.00000
   64    66    69    70.00000  120.00000
   66    64    65    35.00000  120.00000
   66    67    68    35.00000  120.00000
   66    67    73    63.00000  120.00000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    72    35.00000  109.50000
   67    73    55    70.00000  120.00000
   73    57    62    63.00000  120.00000
   73    67    68    35.00000  120.00000
   55    50    53    90.00000  108.74100
   69    66    67    70.00000  120.00000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   51    49    50    65.00000  116.34900
   51    56    58    83.00000  116.90000
   56    51    52    83.00000  123.40000
   56    58    59    35.00000  109.50000
   56    58    60    35.00000  109.50000
   56    58    61    35.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   40    33    37    50.00000  109.50000
   40    33    50    50.00000  109.50000
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    50    49   0.56750  1.0 1.0
   29    33    50    49  -0.07550 -1.0 2.0
   29    33    50    49   0.20000  1.0 3.0
   29    33    50    53   0.56750  1.0 1.0
   29    33    50    53  -0.07550 -1.0 2.0
   29    33    50    53   0.20000  1.0 3.0
   29    33    50    55   0.56750  1.0 1.0
   29    33    50    55  -0.07550 -1.0 2.0
   29    33    50    55   0.20000  1.0 3.0
   29    33    40    43   0.14700  1.0 1.0
   29    33    40    43  -1.16150 -1.0 2.0
   29    33    40    43   0.48700  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37    41    47   0.65300  1.0 1.0
   33    37    41    47  -0.03850 -1.0 2.0
   33    37    41    47   0.33900  1.0 3.0
   33    50    53    54   0.30150 -1.0 2.0
   33    50    53    57   0.05850 -1.0 2.0
   33    50    53    57   0.17250  1.0 3.0
   33    50    55    73  -0.32850  1.0 1.0
   33    50    55    73  -0.35800 -1.0 2.0
   33    50    55    73   0.33950  1.0 3.0
   33    40    43    44   0.37050  1.0 3.0
   33    40    43    45   0.37050  1.0 3.0
   33    40    43    46   0.37050  1.0 3.0
   37    33    50    49   0.34400  1.0 1.0
   37    33    50    49   0.09450 -1.0 2.0
   37    33    50    49   0.11100  1.0 3.0
   37    33    50    53  -0.95700  1.0 1.0
   37    33    50    53  -0.18200 -1.0 2.0
   37    33    50    53   0.29450  1.0 3.0
   37    33    50    55   0.62750  1.0 1.0
   37    33    50    55  -0.30950 -1.0 2.0
   37    33    50    55   0.27300  1.0 3.0
   37    33    40    43   0.06250  1.0 1.0
   37    33    40    43  -0.01100 -1.0 2.0
   37    33    40    43   0.28050  1.0 3.0
   37    41    47    48   0.04550  1.0 1.0
   37    41    47    48   0.83000 -1.0 2.0
   37    41    47    48  -0.04000  1.0 3.0
   37    41   -47    49  -0.33500  1.0 1.0
   37    41   -47    49   1.06600 -1.0 2.0
   37    41   -47    49  -0.14000  1.0 3.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    47   0.00000  1.0 1.0
   39    37    41    42   0.00000  1.0 1.0
   39    37    41    47   0.00000  1.0 1.0
   41    47    49    50   7.00000 -1.0 2.0
   41    47    49    51   7.00000 -1.0 2.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    49   1.00000 -1.0 2.0
   47    49   -50    33   0.09850  1.0 1.0
   47    49   -50    33   0.15250 -1.0 2.0
   47    49   -50    33  -0.50650  1.0 3.0
   47    49    50    53  -0.51250  1.0 1.0
   47    49    50    53  -0.88800 -1.0 2.0
   47    49    50    53   0.08850  1.0 3.0
   47    49    50    55   0.39000  1.0 1.0
   47    49    50    55  -0.05800 -1.0 2.0
   47    49    50    55  -0.55150  1.0 3.0
   47    49    51    52   1.00000 -1.0 2.0
   47    49    51    56  -0.56150  1.0 1.0
   47    49    51    56   2.19150 -1.0 2.0
   48    47    49    50   7.00000 -1.0 2.0
   48    47    49    51   7.00000 -1.0 2.0
   49    50    53    54   0.30150 -1.0 2.0
   49    50    53    57   0.65300  1.0 1.0
   49    50    53    57  -0.03850 -1.0 2.0
   49    50    53    57   0.33900  1.0 3.0
   49    50    55    73  -0.25600  1.0 1.0
   49    50    55    73  -0.40050 -1.0 2.0
   49    50    55    73   0.34700  1.0 3.0
   49    51    56    58   2.00000 -1.0 2.0
   50    33    37    38   0.15000  1.0 3.0
   50    33    37    39   0.15000  1.0 3.0
   50    33   -37    41  -0.95700  1.0 1.0
   50    33   -37    41  -0.18200 -1.0 2.0
   50    33   -37    41   0.29450  1.0 3.0
   50    33    40    43   0.06250  1.0 1.0
   50    33    40    43  -0.01100 -1.0 2.0
   50    33    40    43   0.28050  1.0 3.0
   50    49    51    52  -0.64400  1.0 1.0
   50    49    51    52   0.26850 -1.0 2.0
   50    49    51    56  -0.15000  1.0 1.0
   50    49    51    56   0.89550 -1.0 2.0
   50    49    51    56  -0.06900  1.0 3.0
   50    53    57    62   2.26350  1.0 1.0
   50    53    57    62   0.76750 -1.0 2.0
   50    53    57    62   0.22500  1.0 3.0
   50    53   -57    73   2.26350  1.0 1.0
   50    53   -57    73   0.76750 -1.0 2.0
   50    53   -57    73   0.22500  1.0 3.0
   53    50   -55    73  -0.25600  1.0 1.0
   53    50   -55    73  -0.40050 -1.0 2.0
   53    50   -55    73   0.34700  1.0 3.0
   53    57    62    63   3.62500 -1.0 2.0
   53    57    62    64   3.62500 -1.0 2.0
   53    57    73    67   3.62500 -1.0 2.0
   53    57   -73    55   3.62500 -1.0 2.0
   54    53    57    62   1.05000 -1.0 2.0
   54    53    57    73   1.05000 -1.0 2.0
   57    62    64    65   3.62500 -1.0 2.0
   57    62    64    66   3.62500 -1.0 2.0
   57    73   -55    50   1.63200 -1.0 2.0
   62    57    73    67   3.62500 -1.0 2.0
   62    57    73    55   3.62500 -1.0 2.0
   62    64   -66    67   3.62500 -1.0 2.0
   62    64    66    69   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   63    62    64    66   3.62500 -1.0 2.0
   64    66    67    68   3.62500 -1.0 2.0
   64    66    67    73   3.62500 -1.0 2.0
   64    66    69    70   0.00000  1.0 1.0
   64    66    69    71   0.00000  1.0 1.0
   64    66    69    72   0.00000  1.0 1.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    69   3.62500 -1.0 2.0
   66    67   -73    57   3.62500 -1.0 2.0
   66    67    73    55   3.62500 -1.0 2.0
   67    66    69    70   0.00000  1.0 1.0
   67    66    69    71   0.00000  1.0 1.0
   67    66    69    72   0.00000  1.0 1.0
   67    73    55    50   1.63200 -1.0 2.0
   68    67    73    57   3.62500 -1.0 2.0
   68    67    73    55   3.62500 -1.0 2.0
   73    57    62    63   3.62500 -1.0 2.0
   73    57   -62    64   3.62500 -1.0 2.0
   55    50    53    54   0.30150 -1.0 2.0
   55    50   -53    57   0.65300  1.0 1.0
   55    50   -53    57  -0.03850 -1.0 2.0
   55    50   -53    57   0.33900  1.0 3.0
   69    66    67    68   3.62500 -1.0 2.0
   69    66    67    73   3.62500 -1.0 2.0
   51    49    50    33   0.09700  1.0 1.0
   51    49    50    33   0.15600 -1.0 2.0
   51    49    50    33  -0.50800  1.0 3.0
   51    49    50    53   0.09700  1.0 1.0
   51    49    50    53   0.15600 -1.0 2.0
   51    49    50    53  -0.50800  1.0 3.0
   51    49    50    55   0.09700  1.0 1.0
   51    49    50    55   0.15600 -1.0 2.0
   51    49    50    55  -0.50800  1.0 3.0
   51    56    58    59   0.08050  1.0 3.0
   51    56    58    60   0.08050  1.0 3.0
   51    56    58    61   0.08050  1.0 3.0
   52    51    56    58   3.00000 -1.0 2.0
   40    33    37    38   0.23400  1.0 3.0
   40    33    37    39   0.23400  1.0 3.0
   40    33    37    41  -0.09450  1.0 1.0
   40    33    37    41  -1.12950 -1.0 2.0
   40    33    37    41   0.54000  1.0 3.0
   40    33    50    49   0.61850  1.0 1.0
   40    33    50    49  -0.22750 -1.0 2.0
   40    33    50    49   0.15300  1.0 3.0
   40    33    50    53  -0.09450  1.0 1.0
   40    33    50    53  -1.12950 -1.0 2.0
   40    33    50    53   0.54000  1.0 3.0
   40    33    50    55   1.11900  1.0 1.0
   40    33    50    55  -1.16350 -1.0 2.0
   40    33    50    55  -0.34150  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
   35    30    34    36  10.50000 -1.0 2.0
   37    47    41    42  10.50000 -1.0 2.0
   41    48    47    49   1.10000 -1.0 2.0
   51    50    49    47   1.10000 -1.0 2.0
   50    57    53    54  10.50000 -1.0 2.0
   62    73    57    53   4.00000 -1.0 2.0
   64    63    62    57   4.00000 -1.0 2.0
   66    65    64    62   1.10000 -1.0 2.0
   67    69    66    64   4.00000 -1.0 2.0
   73    68    67    66   1.10000 -1.0 2.0
   67    55    73    57   4.00000 -1.0 2.0
   49    56    51    52  10.50000 -1.0 2.0
END
