* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    145    237     439
    1     0 S   NP   _N1_     1    28.74449    96.33432   -23.92070
    2     1 S   H    _HN1     2     1.02787   108.49990   -93.76068
    3     1 S   H    _H1_     3     1.02948    71.84894    10.13172
    4     1 S   H    _H2_     4     1.02827    37.18251   170.79002
    5     1 S   CT   _CA1     5     1.50119   135.45663   111.07216
    6     5 S   HC   _HA1     6     1.09573   105.17705    93.17960
    7     5 S   CO3  _C1_     7     1.53777   112.48695   -27.03258
    8     7 S   O2Z  _O11     8     1.26373   115.00336   -42.01544
    9     7 S   O2Z  _O12     9     1.26240   114.94503   137.07916
   10     5 S   CT   _CB1    10     1.53073   107.41461  -148.84126
   11    10 S   HC   HB11    11     1.09836   109.33830   -49.61188
   12    10 S   HC   HB12    12     1.09811   110.46274    66.98890
   13    10 S   CT   _CG1    13     1.53001   112.62541  -170.57846
   14    13 S   HC   HG11    14     1.09577   110.67000   -66.62922
   15    13 S   HC   HG12    15     1.09672   109.74560    52.60796
   16    13 S   C    _CD1    16     1.51806   112.15154   173.06039
   17    16 S   O    _OE1    17     1.22738   123.25605     9.17580
   18    16 S   N    _N2_    18     1.38660   111.72834  -170.88105
   19    18 S   H    _HN2    19     1.01575   118.92872     1.49305
   20    18 S   CT1  _CA2    20     1.46197   123.37220   176.85042
   21    20 S   HC   _HA2    21     1.09737   109.35070     4.59896
   22    20 S   C    _C2_    22     1.53607   108.63533  -110.87537
   23    22 S   O    _O2_    23     1.23069   122.25936  -147.81406
   24    20 S   CT   _CB2    32     1.53359   111.66333   126.64111
   25    24 S   HC   HB21    33     1.09583   110.05362    56.23372
   26    24 S   HC   HB22    34     1.09400   109.91021   175.21791
   27    22 S   N    _N3_    24     1.38321   113.76223    39.61160
   28    27 S   H    _HN3    25     1.01571   119.61086    -3.17903
   29    24 S   S    _SG2    35     1.82803   111.51495   -64.61563
   30    27 S   CT   _CA3    26     1.45288   123.24820   177.20768
   31    30 S   HC   HA31    27     1.09549   107.50199   -64.93270
   32    30 S   HC   HA32    28     1.09557   108.00212    51.51828
   33    29 S   CT   _C14    36     1.84807    99.91680   175.74361
   34    33 S   HC   _H3_    37     1.09753   105.15725   -38.55230
   35    30 S   CO3  _C3_    29     1.52971   114.05745   173.52259
   36    35 S   O2Z  _O31    30     1.26380   116.06985    -0.62683
   37    35 S   O2Z  _O32    31     1.26426   114.41520   179.43455
   38    33 S   CT   _C9_    38     1.53780   109.49489    78.16190
   39    38 S   HC   _H27    39     1.09532   110.70721    58.76355
   40    38 S   HC   _H28    40     1.09679   109.43175   -58.24325
   41    38 S   CT   _C13    41     1.53609   112.11905  -177.69522
   42    41 S   HC   _H32    42     1.09689   109.38707  -178.86443
   43    41 S   CT   _C15    43     1.55438   112.84420   -56.40726
   44    41 S   OH   _O18    74     1.43002   107.96946    65.33645
   45    44 S   HO   _H40    75     0.97269   107.61053    61.91677
   46    43 S   CT   _C8_    44     1.57011   110.16754   172.31566
   47    46 S   HC   _H25    45     1.09722   110.21480    64.96565
   48    46 S   HC   _H26    46     1.09753   109.80467   -51.42008
   49    43 S   CT   _C11    58     1.57642   108.83213    53.03336
   50    49 S   HC   _H30    59     1.10298   106.33876    62.00871
   51    43 S   CT   _C17    70     1.54993   108.21267   -71.60795
   52    51 S   HC   _H34    71     1.08893   113.35042    51.94419
   53    51 S   HC   _H35    72     1.09725   110.26540   -66.29787
   54    51 S   HC   _H36    73     1.09248   113.01740   174.37649
   55    46 S   CT   _C7_    47     1.54024   113.93593  -171.94399
   56    55 S   HC   _H23    48     1.09632   109.30145   175.15067
   57    55 S   HC   _H24    49     1.09580   110.66786   -67.67274
   58    33 S   CT   _C16    60     1.56278   112.93285  -155.22651
   59    55 S   CT   _C10    50     1.51893   108.78515    54.76151
   60    59 S   HC   _H29    51     1.10096   108.33590    61.45575
   61    58 S   CT   _C18    61     1.53593   114.17471   -47.49103
   62    61 S   HC   _H37    62     1.09673   111.14540    73.14544
   63    61 S   HC   _H38    63     1.08988   113.29666   -47.74229
   64    61 S   HC   _H39    64     1.09408   111.71295  -170.47839
   65    58 S   OH   _O19    65     1.44384   106.96428    67.56727
   66    65 S   HO   _H41    66     0.97202   108.49671    59.65926
   67    59 S   CM   _C4_    52     1.48253   122.59450  -174.43894
   68    67 S   CO4  _C5_    53     1.48856   105.98815   154.36396
   69    68 S   O    _O16    54     1.21694   127.13704   165.11472
   70    67 S   CM   _C6_    67     1.33361   130.67711   -23.93324
   71    70 S   HC   _H21    68     1.08460   121.02411    -1.11171
   72    70 S   HC   _H22    69     1.08513   121.46579   179.01941
   73    68 S   OS   _O17    55     1.37482   106.63620   -13.20893
   74    59 S   CT   _C12    56     1.51874   110.95415   -59.40736
   75    74 S   HC   _H31    57     1.09777   111.55526   -57.57714
  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
  18   8   2   1   1  13   6   5  16   6  21   4   1  16   7   6
  20   8   6   2   1   1  10   5   4  10  10   6   6   3   2   1
   2   1   8   7   3   4   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    49    58    61    65  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    74    49    50    58    61    62    63    64    65    66    44  
   38    39    40    41    49    58    61    65  
   36    37  
   37  
    0  
   39    40    41    42    43    46    49    58    61    65    51    44    45  
   40    41    42    43    58    44  
   41    42    43    58    44  
   42    43    46    47    48    55    74    49    50    58    51    52    53    54    44    45  
   43    46    49    51    44    45  
   46    47    48    55    56    57    59    73    74    75    49    50    58    61    65    51    52    53    54    44    45  
   45    46    49    51  
    0  
   47    48    55    56    57    59    60    67    74    49    50    58    51    52    53    54  
   48    55    56    57    59    49    51  
   55    56    57    59    49    51  
   50    58    61    62    63    64    65    66    51    52    53    54    55    59    60    67    68    73    74    75  
   58    61    65    51    59    73    74    75  
   52    53    54    55    58    74  
   53    54  
   54  
    0  
   56    57    59    60    67    68    73    74    75    70  
   57    59    60    67    74  
   59    60    67    74  
   61    62    63    64    65    66    59    73    74    75  
   60    67    68    69    73    74    75    70    71    72  
   67    68    73    74    75    70  
   62    63    64    65    66    74  
   63    64    65  
   64    65  
   65  
   66    74  
    0  
   68    69    73    74    75    70    71    72  
   69    73    74    75    70    71    72  
   73    74    70  
   71    72    73    74  
   72  
    0  
   74    75  
   75  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   75   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    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   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    44   320.000  1.410
   43    46   268.000  1.529
   43    49   268.000  1.529
   43    51   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    59   268.000  1.529
   59    60   340.000  1.090
   59    67   317.000  1.510
   59    74   268.000  1.529
   67    68   320.000  1.462
   67    70   549.000  1.340
   68    69   570.000  1.229
   68    73   214.000  1.327
   73    74   320.000  1.410
   74    75   340.000  1.090
   74    49   268.000  1.529
   49    50   340.000  1.090
   49    58   268.000  1.529
   58    61   268.000  1.529
   58    65   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   553.000  0.945
   70    71   340.000  1.080
   70    72   340.000  1.080
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   44    45   553.000  0.945
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    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    58    49    58.35000  112.70000
   33    58    61    58.35000  112.70000
   33    58    65    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    44    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    46    58.35000  112.70000
   41    43    49    58.35000  112.70000
   41    43    51    58.35000  112.70000
   41    44    45    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    55    58.35000  112.70000
   43    49    74    58.35000  112.70000
   43    49    50    37.50000  110.70000
   43    49    58    58.35000  112.70000
   43    51    52    37.50000  110.70000
   43    51    53    37.50000  110.70000
   43    51    54    37.50000  110.70000
   46    55    56    37.50000  110.70000
   46    55    57    37.50000  110.70000
   46    55    59    58.35000  112.70000
   48    46    47    33.00000  107.80000
   55    46    47    37.50000  110.70000
   55    46    48    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    67    70.00000  112.02700
   55    59    74    58.35000  112.70000
   57    55    56    33.00000  107.80000
   59    55    56    37.50000  110.70000
   59    55    57    37.50000  110.70000
   59    67    68    65.00000  116.34900
   59    67    70    70.00000  124.00000
   59    74    73    50.00000  109.50000
   59    74    75    37.50000  110.70000
   59    74    49    58.35000  112.70000
   67    59    60    35.00000  109.50000
   67    68    69    80.00000  123.72100
   67    68    73    90.00000  111.29400
   67    70    71    35.00000  120.00000
   67    70    72    35.00000  120.00000
   68    73    74    83.00000  116.90000
   73    68    69    83.00000  123.40000
   73    74    75    35.00000  109.50000
   73    74    49    50.00000  109.50000
   74    59    60    37.50000  110.70000
   74    59    67    70.00000  112.02700
   74    49    50    37.50000  110.70000
   74    49    58    58.35000  112.70000
   49    43    46    58.35000  112.70000
   49    74    75    37.50000  110.70000
   49    58    61    58.35000  112.70000
   49    58    65    50.00000  109.50000
   58    33    34    37.50000  110.70000
   58    33    38    58.35000  112.70000
   58    49    50    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    64    37.50000  110.70000
   58    65    66    55.00000  108.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    58    61    50.00000  109.50000
   70    67    68    65.00000  118.96000
   72    70    71    35.00000  117.00000
   51    43    46    58.35000  112.70000
   51    43    49    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   44    41    42    35.00000  109.50000
   44    41    43    50.00000  109.50000
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   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    58    49   0.44750  1.0 1.0
   29    33    58    49  -0.17800 -1.0 2.0
   29    33    58    49   0.20200  1.0 3.0
   29    33    58    61   0.44750  1.0 1.0
   29    33    58    61  -0.17800 -1.0 2.0
   29    33    58    61   0.20200  1.0 3.0
   29    33    58    65   0.56750  1.0 1.0
   29    33    58    65  -0.07550 -1.0 2.0
   29    33    58    65   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    44   0.86500  1.0 1.0
   33    38    41    44  -0.17500 -1.0 2.0
   33    38    41    44   0.20800  1.0 3.0
   33    58    61    62   0.15000  1.0 3.0
   33    58    61    63   0.15000  1.0 3.0
   33    58    61    64   0.15000  1.0 3.0
   33    58    65    66  -0.11600  1.0 1.0
   33    58    65    66  -0.09450 -1.0 2.0
   33    58    65    66   0.21250  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    41   0.15000  1.0 3.0
   34    33    58    49   0.15000  1.0 3.0
   34    33    58    61   0.15000  1.0 3.0
   34    33    58    65   0.23400  1.0 3.0
   38    33    58    49   0.56750  1.0 1.0
   38    33    58    49  -0.07550 -1.0 2.0
   38    33    58    49   0.20000  1.0 3.0
   38    33    58    61   0.56750  1.0 1.0
   38    33    58    61  -0.07550 -1.0 2.0
   38    33    58    61   0.20000  1.0 3.0
   38    33    58    65   0.86500  1.0 1.0
   38    33    58    65  -0.17500 -1.0 2.0
   38    33    58    65   0.20800  1.0 3.0
   38    41    43    46   0.56750  1.0 1.0
   38    41    43    46  -0.07550 -1.0 2.0
   38    41    43    46   0.20000  1.0 3.0
   38    41   -43    49   0.56750  1.0 1.0
   38    41   -43    49  -0.07550 -1.0 2.0
   38    41   -43    49   0.20000  1.0 3.0
   38    41    43    51   0.56750  1.0 1.0
   38    41    43    51  -0.07550 -1.0 2.0
   38    41    43    51   0.20000  1.0 3.0
   38    41    44    45  -0.11600  1.0 1.0
   38    41    44    45  -0.09450 -1.0 2.0
   38    41    44    45   0.21250  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    44   0.23400  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    44   0.23400  1.0 3.0
   41    43    46    47   0.15000  1.0 3.0
   41    43    46    48   0.15000  1.0 3.0
   41    43    46    55   0.56750  1.0 1.0
   41    43    46    55  -0.07550 -1.0 2.0
   41    43    46    55   0.20000  1.0 3.0
   41    43    49    74   0.56750  1.0 1.0
   41    43    49    74  -0.07550 -1.0 2.0
   41    43    49    74   0.20000  1.0 3.0
   41    43    49    50   0.15000  1.0 3.0
   41    43    49    58   0.56750  1.0 1.0
   41    43    49    58  -0.07550 -1.0 2.0
   41    43    49    58   0.20000  1.0 3.0
   41    43    51    52   0.15000  1.0 3.0
   41    43    51    53   0.15000  1.0 3.0
   41    43    51    54   0.15000  1.0 3.0
   42    41    43    46   0.15000  1.0 3.0
   42    41    43    49   0.15000  1.0 3.0
   42    41    43    51   0.15000  1.0 3.0
   42    41    44    45   0.19450  1.0 3.0
   43    41    44    45  -0.11600  1.0 1.0
   43    41    44    45  -0.09450 -1.0 2.0
   43    41    44    45   0.21250  1.0 3.0
   43    46    55    56   0.15000  1.0 3.0
   43    46    55    57   0.15000  1.0 3.0
   43    46    55    59   0.56750  1.0 1.0
   43    46    55    59  -0.07550 -1.0 2.0
   43    46    55    59   0.20000  1.0 3.0
   43    49   -58    33   0.56750  1.0 1.0
   43    49   -58    33  -0.07550 -1.0 2.0
   43    49   -58    33   0.20000  1.0 3.0
   43    49    58    61   0.56750  1.0 1.0
   43    49    58    61  -0.07550 -1.0 2.0
   43    49    58    61   0.20000  1.0 3.0
   43    49    58    65   0.86500  1.0 1.0
   43    49    58    65  -0.17500 -1.0 2.0
   43    49    58    65   0.20800  1.0 3.0
   46    43    49    74   0.56750  1.0 1.0
   46    43    49    74  -0.07550 -1.0 2.0
   46    43    49    74   0.20000  1.0 3.0
   46    43    49    50   0.15000  1.0 3.0
   46    43    49    58   0.56750  1.0 1.0
   46    43    49    58  -0.07550 -1.0 2.0
   46    43    49    58   0.20000  1.0 3.0
   46    43    51    52   0.15000  1.0 3.0
   46    43    51    53   0.15000  1.0 3.0
   46    43    51    54   0.15000  1.0 3.0
   46    55    59    60   0.15000  1.0 3.0
   46    55    59    67   0.34400  1.0 1.0
   46    55    59    67   0.09450 -1.0 2.0
   46    55    59    67   0.11100  1.0 3.0
   46    55   -59    74   0.56750  1.0 1.0
   46    55   -59    74  -0.07550 -1.0 2.0
   46    55   -59    74   0.20000  1.0 3.0
   47    46    55    56   0.15000  1.0 3.0
   47    46    55    57   0.15000  1.0 3.0
   47    46    55    59   0.15000  1.0 3.0
   48    46    55    56   0.15000  1.0 3.0
   48    46    55    57   0.15000  1.0 3.0
   48    46    55    59   0.15000  1.0 3.0
   55    59    67    68   0.09700  1.0 1.0
   55    59    67    68   0.15600 -1.0 2.0
   55    59    67    68  -0.50800  1.0 3.0
   55    59    67    70   0.09850  1.0 1.0
   55    59    67    70   0.15250 -1.0 2.0
   55    59    67    70  -0.50650  1.0 3.0
   55    59    74    73   0.62750  1.0 1.0
   55    59    74    73  -0.30950 -1.0 2.0
   55    59    74    73   0.27300  1.0 3.0
   55    59    74    75   0.15000  1.0 3.0
   55    59    74    49   0.56750  1.0 1.0
   55    59    74    49  -0.07550 -1.0 2.0
   55    59    74    49   0.20000  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    67   0.15000  1.0 3.0
   56    55    59    74   0.15000  1.0 3.0
   57    55    59    60   0.15000  1.0 3.0
   57    55    59    67   0.15000  1.0 3.0
   57    55    59    74   0.15000  1.0 3.0
   59    67    68    69  -0.64400  1.0 1.0
   59    67    68    69   0.26850 -1.0 2.0
   59    67   -68    73  -0.15000  1.0 1.0
   59    67   -68    73   0.89550 -1.0 2.0
   59    67   -68    73  -0.06900  1.0 3.0
   59    67    70    71   7.00000 -1.0 2.0
   59    67    70    72   7.00000 -1.0 2.0
   59    74   -49    43   0.56750  1.0 1.0
   59    74   -49    43  -0.07550 -1.0 2.0
   59    74   -49    43   0.20000  1.0 3.0
   59    74    49    50   0.15000  1.0 3.0
   59    74    49    58   0.56750  1.0 1.0
   59    74    49    58  -0.07550 -1.0 2.0
   59    74    49    58   0.20000  1.0 3.0
   60    59    67    68   0.15000  1.0 3.0
   60    59    67    70   0.00000  1.0 1.0
   60    59    74    73   0.23400  1.0 3.0
   60    59    74    75   0.15000  1.0 3.0
   60    59    74    49   0.15000  1.0 3.0
   67    59   -74    73   0.61850  1.0 1.0
   67    59   -74    73  -0.22750 -1.0 2.0
   67    59   -74    73   0.15300  1.0 3.0
   67    59    74    75   0.15000  1.0 3.0
   67    59    74    49   0.34400  1.0 1.0
   67    59    74    49   0.09450 -1.0 2.0
   67    59    74    49   0.11100  1.0 3.0
   67    68   -73    74   2.00000 -1.0 2.0
   68    67    70    71   7.00000 -1.0 2.0
   68    67    70    72   7.00000 -1.0 2.0
   68    73   -74    59  -0.25900  1.0 1.0
   68    73   -74    59  -0.47000 -1.0 2.0
   68    73   -74    59   0.11750  1.0 3.0
   68    73    74    75   0.08050  1.0 3.0
   68    73    74    49  -0.25900  1.0 1.0
   68    73    74    49  -0.47000 -1.0 2.0
   68    73    74    49   0.11750  1.0 3.0
   69    68    73    74   3.00000 -1.0 2.0
   73    74    49    43   0.62750  1.0 1.0
   73    74    49    43  -0.30950 -1.0 2.0
   73    74    49    43   0.27300  1.0 3.0
   73    74    49    50   0.23400  1.0 3.0
   73    74    49    58   0.62750  1.0 1.0
   73    74    49    58  -0.30950 -1.0 2.0
   73    74    49    58   0.27300  1.0 3.0
   74    59   -67    68   0.09700  1.0 1.0
   74    59   -67    68   0.15600 -1.0 2.0
   74    59   -67    68  -0.50800  1.0 3.0
   74    59    67    70   0.09850  1.0 1.0
   74    59    67    70   0.15250 -1.0 2.0
   74    59    67    70  -0.50650  1.0 3.0
   74    49    58    33   0.56750  1.0 1.0
   74    49    58    33  -0.07550 -1.0 2.0
   74    49    58    33   0.20000  1.0 3.0
   74    49    58    61   0.56750  1.0 1.0
   74    49    58    61  -0.07550 -1.0 2.0
   74    49    58    61   0.20000  1.0 3.0
   74    49    58    65   0.86500  1.0 1.0
   74    49    58    65  -0.17500 -1.0 2.0
   74    49    58    65   0.20800  1.0 3.0
   75    74    49    43   0.15000  1.0 3.0
   75    74    49    50   0.15000  1.0 3.0
   75    74    49    58   0.15000  1.0 3.0
   49    43    46    47   0.15000  1.0 3.0
   49    43    46    48   0.15000  1.0 3.0
   49    43   -46    55   0.56750  1.0 1.0
   49    43   -46    55  -0.07550 -1.0 2.0
   49    43   -46    55   0.20000  1.0 3.0
   49    43    51    52   0.15000  1.0 3.0
   49    43    51    53   0.15000  1.0 3.0
   49    43    51    54   0.15000  1.0 3.0
   49    58    61    62   0.15000  1.0 3.0
   49    58    61    63   0.15000  1.0 3.0
   49    58    61    64   0.15000  1.0 3.0
   49    58    65    66  -0.11600  1.0 1.0
   49    58    65    66  -0.09450 -1.0 2.0
   49    58    65    66   0.21250  1.0 3.0
   50    49    58    33   0.15000  1.0 3.0
   50    49    58    61   0.15000  1.0 3.0
   50    49    58    65   0.23400  1.0 3.0
   58    33    38    39   0.15000  1.0 3.0
   58    33    38    40   0.15000  1.0 3.0
   58    33   -38    41   0.56750  1.0 1.0
   58    33   -38    41  -0.07550 -1.0 2.0
   58    33   -38    41   0.20000  1.0 3.0
   61    58    65    66  -0.11600  1.0 1.0
   61    58    65    66  -0.09450 -1.0 2.0
   61    58    65    66   0.21250  1.0 3.0
   65    58    61    62   0.23400  1.0 3.0
   65    58    61    63   0.23400  1.0 3.0
   65    58    61    64   0.23400  1.0 3.0
   70    67    68    69   1.00000 -1.0 2.0
   70    67    68    73  -0.56150  1.0 1.0
   70    67    68    73   2.19150 -1.0 2.0
   51    43    46    47   0.15000  1.0 3.0
   51    43    46    48   0.15000  1.0 3.0
   51    43    46    55   0.56750  1.0 1.0
   51    43    46    55  -0.07550 -1.0 2.0
   51    43    46    55   0.20000  1.0 3.0
   51    43    49    74   0.56750  1.0 1.0
   51    43    49    74  -0.07550 -1.0 2.0
   51    43    49    74   0.20000  1.0 3.0
   51    43    49    50   0.15000  1.0 3.0
   51    43    49    58   0.56750  1.0 1.0
   51    43    49    58  -0.07550 -1.0 2.0
   51    43    49    58   0.20000  1.0 3.0
   44    41    43    46   0.86500  1.0 1.0
   44    41    43    46  -0.17500 -1.0 2.0
   44    41    43    46   0.20800  1.0 3.0
   44    41    43    49   0.86500  1.0 1.0
   44    41    43    49  -0.17500 -1.0 2.0
   44    41    43    49   0.20800  1.0 3.0
   44    41    43    51   0.86500  1.0 1.0
   44    41    43    51  -0.17500 -1.0 2.0
   44    41    43    51   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   59    68    67    70   1.10000 -1.0 2.0
   67    73    68    69  10.50000 -1.0 2.0
   71    72    70    67   1.10000 -1.0 2.0
END
