* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    144    234     435
    1     0 S   NP   _N1_     1    28.80526    94.63590   -20.61408
    2     1 S   H    _HN1     2     1.02777    85.72275   -76.07064
    3     1 S   H    _H1_     3     1.02961    93.38923    32.07611
    4     1 S   H    _H2_     4     1.02837    31.99370   149.39997
    5     1 S   CT   _CA1     5     1.50118   142.23381   162.36978
    6     5 S   HC   _HA1     6     1.09567   105.27257    51.90047
    7     5 S   CO3  _C1_     7     1.53830   112.32188   -68.42532
    8     7 S   O2Z  _O11     8     1.26366   115.00189   -43.90383
    9     7 S   O2Z  _O12     9     1.26234   114.94133   135.29294
   10     5 S   CT   _CB1    10     1.53086   107.43291   169.92309
   11    10 S   HC   HB11    11     1.09818   109.48672   -49.59261
   12    10 S   HC   HB12    12     1.09829   110.34393    66.99677
   13    10 S   CT   _CG1    13     1.53008   112.65304  -170.69568
   14    13 S   HC   HG11    14     1.09543   110.37477   -59.69874
   15    13 S   HC   HG12    15     1.09627   110.14722    59.41455
   16    13 S   C    _CD1    16     1.51811   112.11435   179.58222
   17    16 S   O    _OE1    17     1.22733   123.13153   -12.29496
   18    16 S   N    _N2_    18     1.38577   111.71407   168.38602
   19    18 S   H    _HN2    19     1.01574   119.07282     1.13522
   20    18 S   CT1  _CA2    20     1.46300   123.46941  -178.06599
   21    20 S   HC   _HA2    21     1.09733   109.37158   -12.17741
   22    20 S   C    _C2_    22     1.53452   108.28682  -127.82378
   23    22 S   O    _O2_    23     1.23003   122.33386  -146.27534
   24    20 S   CT   _CB2    32     1.53482   111.26265   109.86107
   25    24 S   HC   HB21    33     1.09558   109.56432    55.39684
   26    24 S   HC   HB22    34     1.09449   110.40236   173.99606
   27    22 S   N    _N3_    24     1.38546   113.33290    41.12760
   28    27 S   H    _HN3    25     1.01527   118.85095    -0.79155
   29    24 S   S    _SG2    35     1.82973   111.38193   -66.27580
   30    27 S   CT   _CA3    26     1.45455   123.58510   175.26923
   31    30 S   HC   HA31    27     1.09514   109.40647    20.84181
   32    30 S   HC   HA32    28     1.09502   107.07102   137.85547
   33    29 S   CT   _C12    36     1.85697    99.84973   149.49900
   34    33 S   HC   _H7_    37     1.09694   106.81604   -41.80655
   35    30 S   CO3  _C3_    29     1.52914   113.03634  -102.76833
   36    35 S   O2Z  _O31    30     1.26410   115.37613   -45.21543
   37    35 S   O2Z  _O32    31     1.26352   115.00988   135.73958
   38    33 S   CT   _C11    38     1.57957   109.24761  -158.61346
   39    38 S   HC   _H6_    39     1.09971   107.56220   -30.79193
   40    38 S   CT   _C5_    40     1.56522   114.87784    89.08857
   41    40 S   HC   _H3_    41     1.09549   108.99939    74.18108
   42    38 S   CT   _C10    59     1.56605   104.17179  -144.50719
   43    40 S   CT   _C6_    42     1.54259   113.58103  -165.66619
   44    43 S   HC   _H13    43     1.09941   109.53008    69.79503
   45    43 S   HC   _H14    44     1.09941   108.70793  -176.72613
   46    42 S   CT   _C14    60     1.55363   100.58858    36.41178
   47    46 S   HC   _H9_    61     1.10109   109.48446    74.20258
   48    42 S   CT   _C15    67     1.55192   112.91775   -81.14204
   49    48 S   HC   _H18    68     1.09419   112.46839    46.19059
   50    48 S   HC   _H19    69     1.09293   111.97862   -74.21125
   51    48 S   HC   _H20    70     1.09573   111.47512   166.87362
   52    40 S   CT   _C4_    71     1.53826   114.25156   -43.32708
   53    52 S   HC   _H10    72     1.09459   111.47816   -59.55574
   54    52 S   HC   _H11    73     1.09624   110.57046  -178.84971
   55    52 S   HC   _H12    74     1.09311   111.97403    63.09807
   56    43 S   CT   _C7_    45     1.52385   116.91236   -54.71244
   57    56 S   HC   _H4_    46     1.09519   110.62056   -58.21768
   58    33 S   CT   _C13    62     1.56976   118.02897    78.72317
   59    58 S   OM   _O34    63     1.32103   114.68088    -5.22892
   60    58 S   HC   _H8_    64     1.10041   105.93324  -136.52321
   61    46 S   OH   _O33    65     1.42223   112.01290  -166.80575
   62    61 S   HO   _H17    66     0.97351   105.99279   167.71290
   63    56 S   CT   _C8_    47     1.51698   113.26879    69.98141
   64    63 S   HC   _H5_    48     1.09860   110.12122    33.80196
   65    63 S   CM   _C16    49     1.49444   100.25921   145.86866
   66    63 S   CT   _C9_    56     1.52823   114.71833   -89.84639
   67    66 S   HC   _H15    57     1.09887   106.55591   173.39143
   68    66 S   HC   _H16    58     1.09930   109.59877   -74.46106
   69    65 S   CO4  _C18    50     1.47639   108.41554   -23.31832
   70    69 S   O    _O35    51     1.21734   127.17927  -169.40129
   71    65 S   CM   _C17    53     1.33614   130.15038   155.43916
   72    71 S   HC   _H21    54     1.08460   121.19916     1.01143
   73    71 S   HC   _H22    55     1.08531   121.65652  -179.26352
   74    56 S   OS   _O36    52     1.44554   107.50751  -174.02453
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  26   9  17   9  20  14   6   5  14   7   9
   3   2   1   4   2   1   1  11   6   5   2   1   2   1  11   7
   9   5   1   1   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    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    46    58    59    60  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    66    42    46    47    58    59    60    61    48    52  
   38    39    40    42    46    58    59    60  
   36    37  
   37  
    0  
   39    40    41    43    44    45    56    63    66    67    68    42    46    47    58    59    60    61    48    49    50    51    52    53    54    55  
   40    41    43    66    42    46    58    48    52  
   41    43    44    45    56    57    63    74    66    42    46    58    48    52    53    54    55  
   43    44    45    56    42    52    53    54    55  
   46    47    58    59    60    61    62    48    49    50    51    52    43    56    63    64    65    66    67    68  
   44    45    56    57    63    64    65    69    74    66    52    53    54    55  
   45    56    57    63    74    52  
   56    57    63    74    52  
   47    58    59    60    61    62    48    49    50    51    63    66    67    68  
   58    59    60    61    62    48    66  
   49    50    51    58    61    63    66    67    68  
   50    51    66  
   51    66  
   66  
   53    54    55    56  
   54    55  
   55  
    0  
   57    63    64    65    69    70    74    71    66    67    68  
   63    64    65    69    74    66  
   59    60    61    62    66  
   60    61  
   61  
   62    66  
    0  
   64    65    69    70    74    71    72    73    66    67    68  
   65    69    74    71    66    67    68  
   69    70    74    71    72    73    66    67    68  
   67    68    69    71    74  
   68  
    0  
   70    74    71    72    73  
   74    71  
   72    73    74  
   73  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   60   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   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   268.000  1.529
   33    58   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   268.000  1.529
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    52   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    56   268.000  1.529
   56    57   340.000  1.090
   56    63   268.000  1.529
   56    74   320.000  1.410
   63    64   340.000  1.090
   63    65   317.000  1.510
   63    66   268.000  1.529
   65    69   320.000  1.462
   65    71   549.000  1.340
   69    70   570.000  1.229
   69    74   214.000  1.327
   71    72   340.000  1.080
   71    73   340.000  1.080
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    42   268.000  1.529
   42    46   268.000  1.529
   42    48   268.000  1.529
   46    47   340.000  1.090
   46    58   268.000  1.529
   46    61   320.000  1.410
   58    59   570.000  1.307
   58    60   340.000  1.090
   61    62   553.000  0.945
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    58    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    58.35000  112.70000
   33    58    46    58.35000  112.70000
   33    58    59    50.00000  109.50000
   33    58    60    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    52    58.35000  112.70000
   38    42    66    58.35000  112.70000
   38    42    46    58.35000  112.70000
   38    42    48    58.35000  112.70000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    56    58.35000  112.70000
   40    52    53    37.50000  110.70000
   40    52    54    37.50000  110.70000
   40    52    55    37.50000  110.70000
   43    40    41    37.50000  110.70000
   43    56    57    37.50000  110.70000
   43    56    63    58.35000  112.70000
   43    56    74    50.00000  109.50000
   45    43    44    33.00000  107.80000
   56    43    44    37.50000  110.70000
   56    43    45    37.50000  110.70000
   56    63    64    37.50000  110.70000
   56    63    65    70.00000  112.02700
   56    63    66    58.35000  112.70000
   56    74    69    83.00000  116.90000
   63    56    57    37.50000  110.70000
   63    65    69    65.00000  116.34900
   63    65    71    70.00000  124.00000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    42    58.35000  112.70000
   65    63    64    35.00000  109.50000
   65    69    70    80.00000  123.72100
   65    69    74    90.00000  111.29400
   65    71    72    35.00000  120.00000
   65    71    73    35.00000  120.00000
   74    56    57    35.00000  109.50000
   74    56    63    50.00000  109.50000
   74    69    70    83.00000  123.40000
   71    65    69    65.00000  118.96000
   73    71    72    35.00000  117.00000
   66    63    64    37.50000  110.70000
   66    63    65    70.00000  112.02700
   66    42    46    58.35000  112.70000
   66    42    48    58.35000  112.70000
   68    66    67    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    58.35000  112.70000
   42    66    67    37.50000  110.70000
   42    66    68    37.50000  110.70000
   42    46    47    37.50000  110.70000
   42    46    58    58.35000  112.70000
   42    46    61    50.00000  109.50000
   42    48    49    37.50000  110.70000
   42    48    50    37.50000  110.70000
   42    48    51    37.50000  110.70000
   46    58    59    50.00000  109.50000
   46    58    60    37.50000  110.70000
   46    61    62    55.00000  108.50000
   58    33    34    37.50000  110.70000
   58    33    38    58.35000  112.70000
   58    46    47    37.50000  110.70000
   60    58    59    45.00000  125.66300
   61    46    47    35.00000  109.50000
   61    46    58    50.00000  109.50000
   48    42    46    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   52    40    41    37.50000  110.70000
   52    40    43    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    58    46   0.44750  1.0 1.0
   29    33    58    46  -0.17800 -1.0 2.0
   29    33    58    46   0.20200  1.0 3.0
   29    33    58    59   0.56750  1.0 1.0
   29    33    58    59  -0.07550 -1.0 2.0
   29    33    58    59   0.20000  1.0 3.0
   29    33    58    60   0.15000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    52   0.56750  1.0 1.0
   33    38    40    52  -0.07550 -1.0 2.0
   33    38    40    52   0.20000  1.0 3.0
   33    38    42    66   0.56750  1.0 1.0
   33    38    42    66  -0.07550 -1.0 2.0
   33    38    42    66   0.20000  1.0 3.0
   33    38   -42    46   0.56750  1.0 1.0
   33    38   -42    46  -0.07550 -1.0 2.0
   33    38   -42    46   0.20000  1.0 3.0
   33    38    42    48   0.56750  1.0 1.0
   33    38    42    48  -0.07550 -1.0 2.0
   33    38    42    48   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    58    46   0.15000  1.0 3.0
   34    33    58    59   0.23400  1.0 3.0
   34    33    58    60   0.15000  1.0 3.0
   38    33   -58    46   0.56750  1.0 1.0
   38    33   -58    46  -0.07550 -1.0 2.0
   38    33   -58    46   0.20000  1.0 3.0
   38    33    58    59   0.62750  1.0 1.0
   38    33    58    59  -0.30950 -1.0 2.0
   38    33    58    59   0.27300  1.0 3.0
   38    33    58    60   0.15000  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40    43    45   0.15000  1.0 3.0
   38    40    43    56   0.56750  1.0 1.0
   38    40    43    56  -0.07550 -1.0 2.0
   38    40    43    56   0.20000  1.0 3.0
   38    40    52    53   0.15000  1.0 3.0
   38    40    52    54   0.15000  1.0 3.0
   38    40    52    55   0.15000  1.0 3.0
   38    42    46    47   0.15000  1.0 3.0
   38    42   -46    58   0.56750  1.0 1.0
   38    42   -46    58  -0.07550 -1.0 2.0
   38    42   -46    58   0.20000  1.0 3.0
   38    42    46    61   0.86500  1.0 1.0
   38    42    46    61  -0.17500 -1.0 2.0
   38    42    46    61   0.20800  1.0 3.0
   38    42    48    49   0.15000  1.0 3.0
   38    42    48    50   0.15000  1.0 3.0
   38    42    48    51   0.15000  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    52   0.15000  1.0 3.0
   39    38    42    66   0.15000  1.0 3.0
   39    38    42    46   0.15000  1.0 3.0
   39    38    42    48   0.15000  1.0 3.0
   40    38    42    66   0.56750  1.0 1.0
   40    38    42    66  -0.07550 -1.0 2.0
   40    38    42    66   0.20000  1.0 3.0
   40    38    42    46   0.56750  1.0 1.0
   40    38    42    46  -0.07550 -1.0 2.0
   40    38    42    46   0.20000  1.0 3.0
   40    38    42    48   0.56750  1.0 1.0
   40    38    42    48  -0.07550 -1.0 2.0
   40    38    42    48   0.20000  1.0 3.0
   40    43    56    57   0.15000  1.0 3.0
   40    43    56    63   0.56750  1.0 1.0
   40    43    56    63  -0.07550 -1.0 2.0
   40    43    56    63   0.20000  1.0 3.0
   40    43    56    74   0.62750  1.0 1.0
   40    43    56    74  -0.30950 -1.0 2.0
   40    43    56    74   0.27300  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    45   0.15000  1.0 3.0
   41    40    43    56   0.15000  1.0 3.0
   41    40    52    53   0.15000  1.0 3.0
   41    40    52    54   0.15000  1.0 3.0
   41    40    52    55   0.15000  1.0 3.0
   43    40    52    53   0.15000  1.0 3.0
   43    40    52    54   0.15000  1.0 3.0
   43    40    52    55   0.15000  1.0 3.0
   43    56    63    64   0.15000  1.0 3.0
   43    56    63    65   0.34400  1.0 1.0
   43    56    63    65   0.09450 -1.0 2.0
   43    56    63    65   0.11100  1.0 3.0
   43    56    63    66   0.56750  1.0 1.0
   43    56    63    66  -0.07550 -1.0 2.0
   43    56    63    66   0.20000  1.0 3.0
   43    56    74    69  -0.25900  1.0 1.0
   43    56    74    69  -0.47000 -1.0 2.0
   43    56    74    69   0.11750  1.0 3.0
   44    43    56    57   0.15000  1.0 3.0
   44    43    56    63   0.15000  1.0 3.0
   44    43    56    74   0.23400  1.0 3.0
   45    43    56    57   0.15000  1.0 3.0
   45    43    56    63   0.15000  1.0 3.0
   45    43    56    74   0.23400  1.0 3.0
   56    63   -65    69   0.09700  1.0 1.0
   56    63   -65    69   0.15600 -1.0 2.0
   56    63   -65    69  -0.50800  1.0 3.0
   56    63    65    71   0.09850  1.0 1.0
   56    63    65    71   0.15250 -1.0 2.0
   56    63    65    71  -0.50650  1.0 3.0
   56    63    66    67   0.15000  1.0 3.0
   56    63    66    68   0.15000  1.0 3.0
   56    63    66    42   0.56750  1.0 1.0
   56    63    66    42  -0.07550 -1.0 2.0
   56    63    66    42   0.20000  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    65   0.15000  1.0 3.0
   57    56    63    66   0.15000  1.0 3.0
   57    56    74    69   0.08050  1.0 3.0
   63    56   -74    69  -0.25900  1.0 1.0
   63    56   -74    69  -0.47000 -1.0 2.0
   63    56   -74    69   0.11750  1.0 3.0
   63    65    69    70  -0.64400  1.0 1.0
   63    65    69    70   0.26850 -1.0 2.0
   63    65   -69    74  -0.15000  1.0 1.0
   63    65   -69    74   0.89550 -1.0 2.0
   63    65   -69    74  -0.06900  1.0 3.0
   63    65    71    72   7.00000 -1.0 2.0
   63    65    71    73   7.00000 -1.0 2.0
   63    66    42    38   0.56750  1.0 1.0
   63    66    42    38  -0.07550 -1.0 2.0
   63    66    42    38   0.20000  1.0 3.0
   63    66    42    46   0.56750  1.0 1.0
   63    66    42    46  -0.07550 -1.0 2.0
   63    66    42    46   0.20000  1.0 3.0
   63    66    42    48   0.56750  1.0 1.0
   63    66    42    48  -0.07550 -1.0 2.0
   63    66    42    48   0.20000  1.0 3.0
   64    63    65    69   0.15000  1.0 3.0
   64    63    65    71   0.00000  1.0 1.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    42   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    42   0.34400  1.0 1.0
   65    63    66    42   0.09450 -1.0 2.0
   65    63    66    42   0.11100  1.0 3.0
   65    69   -74    56   2.00000 -1.0 2.0
   69    65    71    72   7.00000 -1.0 2.0
   69    65    71    73   7.00000 -1.0 2.0
   70    69    74    56   3.00000 -1.0 2.0
   74    56    63    64   0.23400  1.0 3.0
   74    56   -63    65   0.61850  1.0 1.0
   74    56   -63    65  -0.22750 -1.0 2.0
   74    56   -63    65   0.15300  1.0 3.0
   74    56    63    66   0.62750  1.0 1.0
   74    56    63    66  -0.30950 -1.0 2.0
   74    56    63    66   0.27300  1.0 3.0
   71    65    69    70   1.00000 -1.0 2.0
   71    65    69    74  -0.56150  1.0 1.0
   71    65    69    74   2.19150 -1.0 2.0
   66    63    65    69   0.09700  1.0 1.0
   66    63    65    69   0.15600 -1.0 2.0
   66    63    65    69  -0.50800  1.0 3.0
   66    63    65    71   0.09850  1.0 1.0
   66    63    65    71   0.15250 -1.0 2.0
   66    63    65    71  -0.50650  1.0 3.0
   66    42    46    47   0.15000  1.0 3.0
   66    42    46    58   0.56750  1.0 1.0
   66    42    46    58  -0.07550 -1.0 2.0
   66    42    46    58   0.20000  1.0 3.0
   66    42    46    61   0.86500  1.0 1.0
   66    42    46    61  -0.17500 -1.0 2.0
   66    42    46    61   0.20800  1.0 3.0
   66    42    48    49   0.15000  1.0 3.0
   66    42    48    50   0.15000  1.0 3.0
   66    42    48    51   0.15000  1.0 3.0
   67    66    42    38   0.15000  1.0 3.0
   67    66    42    46   0.15000  1.0 3.0
   67    66    42    48   0.15000  1.0 3.0
   68    66    42    38   0.15000  1.0 3.0
   68    66    42    46   0.15000  1.0 3.0
   68    66    42    48   0.15000  1.0 3.0
   42    38    40    41   0.15000  1.0 3.0
   42    38    40    43   0.56750  1.0 1.0
   42    38    40    43  -0.07550 -1.0 2.0
   42    38    40    43   0.20000  1.0 3.0
   42    38    40    52   0.56750  1.0 1.0
   42    38    40    52  -0.07550 -1.0 2.0
   42    38    40    52   0.20000  1.0 3.0
   42    46   -58    33   0.56750  1.0 1.0
   42    46   -58    33  -0.07550 -1.0 2.0
   42    46   -58    33   0.20000  1.0 3.0
   42    46    58    59   0.62750  1.0 1.0
   42    46    58    59  -0.30950 -1.0 2.0
   42    46    58    59   0.27300  1.0 3.0
   42    46    58    60   0.15000  1.0 3.0
   42    46    61    62  -0.11600  1.0 1.0
   42    46    61    62  -0.09450 -1.0 2.0
   42    46    61    62   0.21250  1.0 3.0
   46    42    48    49   0.15000  1.0 3.0
   46    42    48    50   0.15000  1.0 3.0
   46    42    48    51   0.15000  1.0 3.0
   47    46    58    33   0.15000  1.0 3.0
   47    46    58    59   0.23400  1.0 3.0
   47    46    58    60   0.15000  1.0 3.0
   47    46    61    62   0.19450  1.0 3.0
   58    33    38    39   0.15000  1.0 3.0
   58    33    38    40   0.56750  1.0 1.0
   58    33    38    40  -0.07550 -1.0 2.0
   58    33    38    40   0.20000  1.0 3.0
   58    33   -38    42   0.56750  1.0 1.0
   58    33   -38    42  -0.07550 -1.0 2.0
   58    33   -38    42   0.20000  1.0 3.0
   58    46    61    62  -0.11600  1.0 1.0
   58    46    61    62  -0.09450 -1.0 2.0
   58    46    61    62   0.21250  1.0 3.0
   61    46    58    33   0.86500  1.0 1.0
   61    46    58    33  -0.17500 -1.0 2.0
   61    46    58    33   0.20800  1.0 3.0
   61    46    58    59   3.69350  1.0 1.0
   61    46    58    59  -1.82950 -1.0 2.0
   61    46    58    60   0.23400  1.0 3.0
   48    42    46    47   0.15000  1.0 3.0
   48    42    46    58   0.56750  1.0 1.0
   48    42    46    58  -0.07550 -1.0 2.0
   48    42    46    58   0.20000  1.0 3.0
   48    42    46    61   0.86500  1.0 1.0
   48    42    46    61  -0.17500 -1.0 2.0
   48    42    46    61   0.20800  1.0 3.0
   52    40    43    44   0.15000  1.0 3.0
   52    40    43    45   0.15000  1.0 3.0
   52    40    43    56   0.56750  1.0 1.0
   52    40    43    56  -0.07550 -1.0 2.0
   52    40    43    56   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   63    69    65    71   1.10000 -1.0 2.0
   65    74    69    70  10.50000 -1.0 2.0
   72    73    71    65   1.10000 -1.0 2.0
END
