* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    137    216     405
    1     0 S   NP   _N1_     1    28.67967    96.44429   -23.14412
    2     1 S   H    _HN1     2     1.02789   104.92912   -98.46147
    3     1 S   H    _H1_     3     1.02949    73.03374     6.58943
    4     1 S   H    _H2_     4     1.02828    37.36398   161.47717
    5     1 S   CT   _CA1     5     1.50113   138.54280   108.43737
    6     5 S   HC   _HA1     6     1.09573   105.18802    90.47851
    7     5 S   CO3  _C1_     7     1.53787   112.48552   -29.75915
    8     7 S   O2Z  _O11     8     1.26373   115.00835   -42.16630
    9     7 S   O2Z  _O12     9     1.26241   114.94883   136.96801
   10     5 S   CT   _CB1    10     1.53076   107.41893  -151.52679
   11    10 S   HC   HB11    11     1.09835   109.37310   -49.54128
   12    10 S   HC   HB12    12     1.09812   110.44909    67.07097
   13    10 S   CT   _CG1    13     1.52993   112.60690  -170.50280
   14    13 S   HC   HG11    14     1.09578   110.65771   -65.95849
   15    13 S   HC   HG12    15     1.09671   109.75836    53.27558
   16    13 S   C    _CD1    16     1.51799   112.18877   173.74831
   17    16 S   O    _OE1    17     1.22733   123.26765     8.17584
   18    16 S   N    _N2_    18     1.38659   111.69453  -171.83908
   19    18 S   H    _HN2    19     1.01570   118.94098     1.83291
   20    18 S   CT1  _CA2    20     1.46203   123.41126   177.47842
   21    20 S   HC   _HA2    21     1.09739   109.31690     5.94956
   22    20 S   C    _C2_    22     1.53636   108.86715  -109.57005
   23    22 S   O    _O2_    23     1.23077   122.23181  -148.92345
   24    20 S   CT   _CB2    32     1.53409   111.59754   127.90916
   25    24 S   HC   HB21    33     1.09521   109.77966    55.79754
   26    24 S   HC   HB22    34     1.09380   109.87403   174.47462
   27    22 S   N    _N3_    24     1.38305   113.84284    38.56395
   28    27 S   H    _HN3    25     1.01559   119.62572    -3.19512
   29    24 S   S    _SG2    35     1.83006   111.34711   -64.60174
   30    27 S   CT   _CA3    26     1.45290   123.24335   177.17867
   31    30 S   HC   HA31    27     1.09548   107.50657   -64.85418
   32    30 S   HC   HA32    28     1.09556   107.99826    51.59807
   33    29 S   CT   _C15    36     1.85978   100.90582  -165.55355
   34    30 S   CO3  _C3_    29     1.52968   114.05603   173.60411
   35    34 S   O2Z  _O31    30     1.26380   116.06856    -0.45370
   36    34 S   O2Z  _O32    31     1.26425   114.41836   179.60584
   37    33 S   CM   _C4_    37     1.50000   106.19814  -177.87358
   38    37 S   HC   _H20    38     1.08509   122.33304    72.28023
   39    33 S   CT   _C18    68     1.53151   109.68992   -61.83581
   40    39 S   HC   _H35    69     1.09329   112.91303    62.93725
   41    39 S   HC   _H36    70     1.09806   111.49545   -57.13289
   42    39 S   HC   _H37    71     1.09688   111.38816  -175.62503
   43    37 S   CMA  _C6_    39     1.33885   114.92269  -110.92825
   44    43 S   OM   _O16    40     1.25479   131.89065  -173.85777
   45    43 S   CM   _C5_    41     1.47554   109.84754     2.66198
   46    45 S   CM   _C7_    42     1.35944   130.49910   168.38690
   47    33 S   CT   _C11    58     1.56628   111.42040    71.62662
   48    47 S   HC   _H25    59     1.09829   108.42127   -13.38639
   49    46 S   CT   _C9_    43     1.51823   122.34193   174.35840
   50    49 S   HC   _H21    44     1.09713   109.76327    66.83321
   51    49 S   HC   _H22    45     1.09781   109.38216  -178.19225
   52    46 S   CT   _C16    64     1.51266   125.40946    -6.46096
   53    52 S   HC   _H29    65     1.09437   110.33648    95.91844
   54    52 S   HC   _H30    66     1.09190   113.47626   -27.59998
   55    52 S   HC   _H31    67     1.09640   110.61411  -144.62752
   56    49 S   CT   _C10    46     1.53207   114.20521   -59.00388
   57    56 S   HC   _H23    47     1.09672   107.84349  -160.64496
   58    56 S   HC   _H24    48     1.09707   110.70464   -44.45399
   59    56 S   CT   _C13    49     1.51990   111.82940    79.77212
   60    59 S   HC   _H27    50     1.10136   108.51011    52.96405
   61    59 S   CT   _C12    51     1.52485   115.27433   173.83359
   62    61 S   HC   _H26    52     1.09629   111.48248    47.89533
   63    61 S   CO4  _C8_    53     1.50996   100.08970   162.23196
   64    63 S   O    _O17    54     1.22060   126.39874   160.77265
   65    61 S   CT   _C17    60     1.51868   113.59454   -78.09628
   66    65 S   HC   _H32    61     1.09564   111.53966   -57.21351
   67    65 S   HC   _H33    62     1.09541   110.55349  -176.37037
   68    65 S   HC   _H34    63     1.09403   111.22749    63.81168
   69    63 S   OS   _O18    55     1.37100   109.17745   -19.61292
   70    59 S   CT   _C14    56     1.52481   115.06311   -69.33699
   71    70 S   HC   _H28    57     1.09928   111.67460   -54.27991
  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  12   5   4   3
  16   2   1   1  12   5   8   3   2   1   8   3  15  14  11   4
  13   6   5   4   2   1   1  11   5   4  12   7  10   8   8   3
   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    47    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    45    70    47    48    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    46    59    69    70    71    47    48    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    46    70    47    48    39    40    41    42  
   43    44    45    47    39  
   40    41    42    43    45    47    48    70  
   41    42    47  
   42    47  
   47  
   44    45    46    49    70    47    48    52  
   45    46    47  
   46    49    50    51    56    59    69    70    71    47    48    52    53    54    55  
   49    50    51    56    57    58    59    70    47    48    52    53    54    55  
   48    52    49    56    59    60    61    63    69    70    71  
   59    69    70    71  
   50    51    56    57    58    59    60    61    70    52    53    54    55  
   51    56    57    58    59    52  
   56    57    58    59    52  
   53    54    55    56  
   54    55  
   55  
    0  
   57    58    59    60    61    62    63    69    70    71    65  
   58    59    60    61    70  
   59    60    61    70  
   60    61    62    63    64    69    70    71    65    66    67    68  
   61    62    63    69    70    71    65  
   62    63    64    69    70    71    65    66    67    68  
   63    64    69    70    65    66    67    68  
   64    69    70    71    65    66    67    68  
   69    70    65  
   66    67    68    69    70  
   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   0.167500   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   33    47   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    43   465.000  1.376
   43    44   745.000  1.250
   43    45   465.000  1.376
   45    46   549.000  1.340
   45    47   317.000  1.510
   46    49   317.000  1.510
   46    52   317.000  1.510
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    70   268.000  1.529
   61    62   340.000  1.090
   61    63   317.000  1.522
   61    65   268.000  1.529
   63    64   570.000  1.229
   63    69   214.000  1.327
   69    70   320.000  1.410
   70    71   340.000  1.090
   70    47   268.000  1.529
   47    48   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  112.20000
   29    33    47    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    43    70.00000  124.00000
   33    47    45    70.00000  112.02700
   33    47    70    58.35000  112.70000
   33    47    48    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    65.00000  137.10300
   37    43    45    70.00000  123.01800
   43    37    38    40.00000  120.50800
   43    45    46    70.00000  117.34000
   43    45    47    70.00000  124.00000
   45    43    44    65.00000  137.10300
   45    46    49    70.00000  124.00000
   45    46    52    70.00000  124.00000
   45    47    70    70.00000  112.02700
   45    47    48    35.00000  109.50000
   46    49    50    35.00000  109.50000
   46    49    51    35.00000  109.50000
   46    49    56    70.00000  112.02700
   46    52    53    35.00000  109.50000
   46    52    54    35.00000  109.50000
   46    52    55    35.00000  109.50000
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   49    56    59    58.35000  112.70000
   51    49    50    33.00000  107.80000
   56    49    50    37.50000  110.70000
   56    49    51    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    58.35000  112.70000
   56    59    70    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    61    62    37.50000  110.70000
   59    61    63    63.00000  111.10000
   59    61    65    58.35000  112.70000
   59    70    69    50.00000  109.50000
   59    70    71    37.50000  110.70000
   59    70    47    58.35000  112.70000
   61    59    60    37.50000  110.70000
   61    63    64    80.00000  120.40000
   61    63    69    81.00000  111.40000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    68    37.50000  110.70000
   63    61    62    35.00000  109.50000
   63    69    70    83.00000  116.90000
   69    63    64    83.00000  123.40000
   69    70    71    35.00000  109.50000
   69    70    47    50.00000  109.50000
   70    59    60    37.50000  110.70000
   70    59    61    58.35000  112.70000
   70    47    48    37.50000  110.70000
   47    33    37    70.00000  112.02700
   47    45    46    70.00000  124.00000
   47    70    71    37.50000  110.70000
   65    61    62    37.50000  110.70000
   65    61    63    63.00000  111.10000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   52    46    49    65.00000  117.92700
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    47    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    47    45   0.56750  1.0 1.0
   29    33    47    45  -0.07550 -1.0 2.0
   29    33    47    45   0.20000  1.0 3.0
   29    33    47    70   0.44750  1.0 1.0
   29    33    47    70  -0.17800 -1.0 2.0
   29    33    47    70   0.20200  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37   -43    45   7.00000 -1.0 2.0
   37    33   -47    45   0.31000  1.0 1.0
   37    33   -47    45   0.14700 -1.0 2.0
   37    33   -47    45   0.07550  1.0 3.0
   37    33    47    70   0.34400  1.0 1.0
   37    33    47    70   0.09450 -1.0 2.0
   37    33    47    70   0.11100  1.0 3.0
   37    33    47    48   0.15000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    45    46   7.00000 -1.0 2.0
   37    43   -45    47   7.00000 -1.0 2.0
   38    37    43    44   7.00000 -1.0 2.0
   38    37    43    45   7.00000 -1.0 2.0
   43    45    46    49   7.00000 -1.0 2.0
   43    45    46    52   7.00000 -1.0 2.0
   43    45   -47    33   0.09850  1.0 1.0
   43    45   -47    33   0.15250 -1.0 2.0
   43    45   -47    33  -0.50650  1.0 3.0
   43    45    47    70   0.09850  1.0 1.0
   43    45    47    70   0.15250 -1.0 2.0
   43    45    47    70  -0.50650  1.0 3.0
   43    45    47    48   0.00000  1.0 1.0
   44    43    45    46   7.00000 -1.0 2.0
   44    43    45    47   7.00000 -1.0 2.0
   45    46    49    50   0.00000  1.0 1.0
   45    46    49    51   0.00000  1.0 1.0
   45    46    49    56   0.09850  1.0 1.0
   45    46    49    56   0.15250 -1.0 2.0
   45    46    49    56  -0.50650  1.0 3.0
   45    46    52    53   0.00000  1.0 1.0
   45    46    52    54   0.00000  1.0 1.0
   45    46    52    55   0.00000  1.0 1.0
   46    45    47    33   0.09850  1.0 1.0
   46    45    47    33   0.15250 -1.0 2.0
   46    45    47    33  -0.50650  1.0 3.0
   46    45    47    70   0.09850  1.0 1.0
   46    45    47    70   0.15250 -1.0 2.0
   46    45    47    70  -0.50650  1.0 3.0
   46    45    47    48   0.00000  1.0 1.0
   46    49    56    57   0.15000  1.0 3.0
   46    49    56    58   0.15000  1.0 3.0
   46    49    56    59   0.34400  1.0 1.0
   46    49    56    59   0.09450 -1.0 2.0
   46    49    56    59   0.11100  1.0 3.0
   49    46    52    53   0.34800  1.0 3.0
   49    46    52    54   0.34800  1.0 3.0
   49    46    52    55   0.34800  1.0 3.0
   49    56    59    60   0.15000  1.0 3.0
   49    56    59    61   0.56750  1.0 1.0
   49    56    59    61  -0.07550 -1.0 2.0
   49    56    59    61   0.20000  1.0 3.0
   49    56    59    70   0.56750  1.0 1.0
   49    56    59    70  -0.07550 -1.0 2.0
   49    56    59    70   0.20000  1.0 3.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    58   0.15000  1.0 3.0
   50    49    56    59   0.15000  1.0 3.0
   51    49    56    57   0.15000  1.0 3.0
   51    49    56    58   0.15000  1.0 3.0
   51    49    56    59   0.15000  1.0 3.0
   56    59    61    62   0.15000  1.0 3.0
   56    59    61    63  -0.95700  1.0 1.0
   56    59    61    63  -0.18200 -1.0 2.0
   56    59    61    63   0.29450  1.0 3.0
   56    59    61    65   0.56750  1.0 1.0
   56    59    61    65  -0.07550 -1.0 2.0
   56    59    61    65   0.20000  1.0 3.0
   56    59    70    69   0.62750  1.0 1.0
   56    59    70    69  -0.30950 -1.0 2.0
   56    59    70    69   0.27300  1.0 3.0
   56    59    70    71   0.15000  1.0 3.0
   56    59    70    47   0.56750  1.0 1.0
   56    59    70    47  -0.07550 -1.0 2.0
   56    59    70    47   0.20000  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    70   0.15000  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    70   0.15000  1.0 3.0
   59    61    63    64   0.30150 -1.0 2.0
   59    61   -63    69   0.36750  1.0 3.0
   59    61    65    66   0.15000  1.0 3.0
   59    61    65    67   0.15000  1.0 3.0
   59    61    65    68   0.15000  1.0 3.0
   59    70    47    33   0.56750  1.0 1.0
   59    70    47    33  -0.07550 -1.0 2.0
   59    70    47    33   0.20000  1.0 3.0
   59    70    47    45   0.34400  1.0 1.0
   59    70    47    45   0.09450 -1.0 2.0
   59    70    47    45   0.11100  1.0 3.0
   59    70    47    48   0.15000  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63  -0.11250  1.0 3.0
   60    59    61    65   0.15000  1.0 3.0
   60    59    70    69   0.23400  1.0 3.0
   60    59    70    71   0.15000  1.0 3.0
   60    59    70    47   0.15000  1.0 3.0
   61    59   -70    69   0.62750  1.0 1.0
   61    59   -70    69  -0.30950 -1.0 2.0
   61    59   -70    69   0.27300  1.0 3.0
   61    59    70    71   0.15000  1.0 3.0
   61    59    70    47   0.56750  1.0 1.0
   61    59    70    47  -0.07550 -1.0 2.0
   61    59    70    47   0.20000  1.0 3.0
   61    63   -69    70   1.63150  1.0 1.0
   61    63   -69    70   2.92000 -1.0 2.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    69   0.00000  1.0 1.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    67   0.15000  1.0 3.0
   62    61    65    68   0.15000  1.0 3.0
   63    61    65    66  -0.11250  1.0 3.0
   63    61    65    67  -0.11250  1.0 3.0
   63    61    65    68  -0.11250  1.0 3.0
   63    69   -70    59  -0.25900  1.0 1.0
   63    69   -70    59  -0.47000 -1.0 2.0
   63    69   -70    59   0.11750  1.0 3.0
   63    69    70    71   0.08050  1.0 3.0
   63    69    70    47  -0.25900  1.0 1.0
   63    69    70    47  -0.47000 -1.0 2.0
   63    69    70    47   0.11750  1.0 3.0
   64    63    69    70   3.00000 -1.0 2.0
   69    70    47    33   0.62750  1.0 1.0
   69    70    47    33  -0.30950 -1.0 2.0
   69    70    47    33   0.27300  1.0 3.0
   69    70    47    45   0.61850  1.0 1.0
   69    70    47    45  -0.22750 -1.0 2.0
   69    70    47    45   0.15300  1.0 3.0
   69    70    47    48   0.23400  1.0 3.0
   70    59    61    62   0.15000  1.0 3.0
   70    59   -61    63  -0.95700  1.0 1.0
   70    59   -61    63  -0.18200 -1.0 2.0
   70    59   -61    63   0.29450  1.0 3.0
   70    59    61    65   0.56750  1.0 1.0
   70    59    61    65  -0.07550 -1.0 2.0
   70    59    61    65   0.20000  1.0 3.0
   71    70    47    33   0.15000  1.0 3.0
   71    70    47    45   0.15000  1.0 3.0
   71    70    47    48   0.15000  1.0 3.0
   47    33    37    38   0.00000  1.0 1.0
   47    33   -37    43   0.09850  1.0 1.0
   47    33   -37    43   0.15250 -1.0 2.0
   47    33   -37    43  -0.50650  1.0 3.0
   47    33    39    40   0.15000  1.0 3.0
   47    33    39    41   0.15000  1.0 3.0
   47    33    39    42   0.15000  1.0 3.0
   47    45    46    49   7.00000 -1.0 2.0
   47    45    46    52   7.00000 -1.0 2.0
   65    61    63    64   0.30150 -1.0 2.0
   65    61    63    69   0.36750  1.0 3.0
   52    46    49    50   0.34800  1.0 3.0
   52    46    49    51   0.34800  1.0 3.0
   52    46    49    56   0.46850  1.0 1.0
   52    46    49    56   0.08550 -1.0 2.0
   52    46    49    56   0.09800  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    43   0.09850  1.0 1.0
   39    33    37    43   0.15250 -1.0 2.0
   39    33    37    43  -0.50650  1.0 3.0
   39    33    47    45   0.34400  1.0 1.0
   39    33    47    45   0.09450 -1.0 2.0
   39    33    47    45   0.11100  1.0 3.0
   39    33    47    70   0.56750  1.0 1.0
   39    33    47    70  -0.07550 -1.0 2.0
   39    33    47    70   0.20000  1.0 3.0
   39    33    47    48   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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    43   1.10000 -1.0 2.0
   45    44    43    37   1.10000 -1.0 2.0
   43    47    45    46   1.10000 -1.0 2.0
   49    52    46    45   1.10000 -1.0 2.0
   61    69    63    64  10.50000 -1.0 2.0
END
