* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    131    199     376
    1     0 S   NP   _N1_     1    28.46486    97.86683   -22.02471
    2     1 S   H    _HN1     2     1.02783    99.36302  -104.99166
    3     1 S   H    _H1_     3     1.02952    69.19766     1.09074
    4     1 S   H    _H2_     4     1.02842    44.04305   148.97978
    5     1 S   CT   _CA1     5     1.50125   145.92822    97.19896
    6     5 S   HC   _HA1     6     1.09596   105.18922    95.22735
    7     5 S   CO3  _C1_     7     1.53763   112.03749   -24.66260
    8     7 S   O2Z  _O11     8     1.26334   115.06124   -53.72068
    9     7 S   O2Z  _O12     9     1.26229   114.81686   124.96568
   10     5 S   CT   _CB1    10     1.53074   107.35610  -147.29623
   11    10 S   HC   HB11    11     1.09831   109.19735   -52.64808
   12    10 S   HC   HB12    12     1.09808   110.57244    63.85478
   13    10 S   CT   _CG1    13     1.52993   112.59790  -173.72818
   14    13 S   HC   HG11    14     1.09529   110.31577   -66.75310
   15    13 S   HC   HG12    15     1.09655   109.93044    52.51766
   16    13 S   C    _CD1    16     1.51808   112.21299   173.07950
   17    16 S   O    _OE1    17     1.22769   123.20388     5.71909
   18    16 S   N    _N2_    18     1.38567   111.88628  -174.46689
   19    18 S   H    _HN2    19     1.01542   118.97777     4.57089
   20    18 S   CT1  _CA2    20     1.45826   122.67230   176.37712
   21    20 S   HC   _HA2    21     1.09720   109.01456    23.92458
   22    20 S   C    _C2_    22     1.52949   106.79425   -93.09395
   23    22 S   O    _O2_    23     1.22979   123.03502   -26.88061
   24    20 S   CT   _CB2    32     1.53156   112.46095   147.32700
   25    24 S   HC   HB21    33     1.09226   109.83205    55.80998
   26    24 S   HC   HB22    34     1.09460   109.79430   173.81002
   27    22 S   N    _N3_    24     1.38477   112.52839   155.97105
   28    27 S   H    _HN3    25     1.01651   120.35646    -2.33062
   29    24 S   S    _SG2    35     1.82714   111.12799   -66.65005
   30    27 S   CT   _CA3    26     1.45355   122.54312   178.44003
   31    30 S   HC   HA31    27     1.09565   107.88046   -54.58279
   32    30 S   HC   HA32    28     1.09560   107.56322    61.78144
   33    29 S   CT   _C16    36     1.87632   101.18101   165.51449
   34    30 S   CO3  _C3_    29     1.52902   114.25550  -176.48409
   35    34 S   O2Z  _O31    30     1.26347   116.03361     1.13090
   36    34 S   O2Z  _O32    31     1.26431   114.42626  -178.92389
   37    33 S   CM   _C11    37     1.52475   107.28843   152.60834
   38    37 S   HC   _H29    38     1.08944   118.00613   -31.42044
   39    33 S   OS   _O24    69     1.44926   111.18847    31.64194
   40    37 S   CMA  _C13    39     1.35006   123.71998   150.43931
   41    40 S   OM   _O18    40     1.25871   130.91318   178.73236
   42    39 S   CT   _C20    70     1.42214   117.36093    75.39579
   43    42 S   HC   _H36    71     1.09373   107.82308  -168.07289
   44    42 S   HC   _H37    72     1.09371   110.58839    74.48953
   45    42 S   HC   _H38    73     1.09316   112.11981   -49.05471
   46    40 S   CM   _C10    41     1.46244   117.64605     1.41776
   47    46 S   HC   _H28    42     1.08999   118.36357   161.50006
   48    46 S   CM   _C14    43     1.34598   121.66839   -18.96938
   49    33 S   CT   _C17    44     1.57904   111.51346   -87.14848
   50    48 S   CO4  _C15    62     1.47902   116.04622   179.47437
   51    50 S   O    _O20    63     1.22217   124.10939   -47.15166
   52    49 S   CO4  _C12    45     1.52826   114.36264   -39.38599
   53    52 S   O    _O19    46     1.21661   129.00512   -63.41664
   54    50 S   OS   _O23    64     1.35769   109.27309   131.69834
   55    52 S   CA   _C6_    47     1.43995   107.26360   116.92349
   56    54 S   CT   _C19    65     1.43000   115.35352   179.76097
   57    56 S   HC   _H33    66     1.09329   108.07198  -178.88583
   58    56 S   HC   _H34    67     1.09413   110.26611    62.39477
   59    56 S   HC   _H35    68     1.09425   110.31340   -60.23921
   60    55 S   CA   _C8_    48     1.37752   105.92189     1.67736
   61    60 S   CA   _C4_    49     1.38226   120.71190  -179.79158
   62    61 S   HA   _H26    50     1.08549   120.50280  -179.78694
   63    49 S   OS   _O21    61     1.45996   109.65332    77.60568
   64    61 S   CA   _C7_    51     1.40506   118.44623     0.52302
   65    64 S   CA   _C5_    52     1.41263   119.92798    -1.57446
   66    65 S   HA   _H27    53     1.08787   119.88198  -178.70820
   67    64 S   CT   _C18    57     1.50035   120.16057  -179.04673
   68    67 S   HC   _H30    58     1.09423   109.99252    90.65754
   69    67 S   HC   _H31    59     1.09513   110.80414  -148.79628
   70    67 S   HC   _H32    60     1.09507   110.93187   -29.84374
   71    55 S   CA   _C9_    54     1.37701   131.62319  -178.70653
   72    71 S   OH   _O22    55     1.35988   122.88025     0.02798
   73    72 S   HO   _H39    56     0.97429   108.53616     0.21306
  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   2   1   1  11   5   9   6   3   4   2   1   1   8   3  10
  10   8   2   8   4   4  10   3   2   1   1   8  10   4   2   8
   8   3   4   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    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    48    49    52    63    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    46    48    49    52    53    55    60    63    50    39    42    43    44    45  
   35    36  
   36  
    0  
   38    40    41    46    47    48    49    52    63    39    42  
   40    41    46    49    39  
   42    43    44    45    40    48    49    52    63  
   41    46    47    48    49    50  
   46    47    48  
   43    44    45    49  
   44    45  
   45  
    0  
   47    48    49    52    63    50    51    54  
   48    49    50  
   49    52    53    55    60    63    50    51    54    56  
   52    53    55    60    61    71    63    50    51    54  
   51    54    56    57    58    59    52    63  
   54    56  
   53    55    60    61    65    71    72    63  
   55    60    71    63  
   56    57    58    59  
   60    61    62    64    65    66    71    72    73    63  
   57    58    59  
   58    59  
   59  
    0  
   61    62    64    65    71    72    67    63  
   62    64    65    66    71    67    68    69    70    63  
   64    65    67    63  
   64    71  
   65    66    71    72    67    68    69    70  
   66    71    72    73    67    68    69    70  
   71    72    67  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73  
   73  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.417900   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  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660   0.317000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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    49   268.000  1.529
   33    39   320.000  1.410
   37    38   340.000  1.080
   37    40   465.000  1.376
   40    41   745.000  1.250
   40    46   465.000  1.376
   46    47   340.000  1.080
   46    48   549.000  1.340
   48    49   317.000  1.510
   48    50   320.000  1.462
   49    52   317.000  1.522
   49    63   320.000  1.410
   52    53   570.000  1.229
   52    55   310.000  1.470
   55    60   469.000  1.400
   55    71   469.000  1.400
   60    61   469.000  1.400
   60    63   450.000  1.364
   61    62   367.000  1.080
   61    64   469.000  1.400
   64    65   469.000  1.400
   64    67   317.000  1.510
   65    66   367.000  1.080
   65    71   469.000  1.400
   71    72   450.000  1.364
   72    73   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   50    51   570.000  1.229
   50    54   214.000  1.327
   54    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   39    42   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    49    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    49    48    70.00000  112.02700
   33    49    52    63.00000  111.10000
   33    49    63    50.00000  109.50000
   33    39    42    60.00000  109.50000
   37    40    41    65.00000  137.10300
   37    40    46    70.00000  123.01800
   40    37    38    40.00000  120.50800
   40    46    47    40.00000  120.50800
   40    46    48    70.00000  117.34000
   46    40    41    65.00000  137.10300
   46    48    49    70.00000  124.00000
   46    48    50    65.00000  118.96000
   48    46    47    35.00000  120.00000
   48    49    52    70.00000  109.06800
   48    49    63    85.00000  110.90400
   48    50    51    80.00000  123.72100
   48    50    54    90.00000  111.29400
   49    33    37    70.00000  112.02700
   49    52    53    80.00000  120.40000
   49    52    55    65.00000  115.47100
   49    63    60    75.00000  111.00000
   52    55    60    60.00000  119.52600
   52    55    71    60.00000  119.52600
   55    52    53    75.00000  123.78400
   55    60    61    63.00000  120.00000
   55    60    63    70.00000  120.00000
   55    71    65    63.00000  120.00000
   55    71    72    70.00000  120.00000
   60    61    62    35.00000  120.00000
   60    61    64    63.00000  120.00000
   61    64    65    63.00000  120.00000
   61    64    67    70.00000  120.00000
   64    61    62    35.00000  120.00000
   64    65    66    35.00000  120.00000
   64    65    71    63.00000  120.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   65    71    72    70.00000  120.00000
   71    55    60    63.00000  120.00000
   71    65    66    35.00000  120.00000
   71    72    73    35.00000  113.00000
   67    64    65    70.00000  120.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   63    49    52    90.00000  108.74100
   63    60    61    70.00000  120.00000
   50    48    49    65.00000  116.34900
   50    54    56    83.00000  116.90000
   54    50    51    83.00000  123.40000
   54    56    57    35.00000  109.50000
   54    56    58    35.00000  109.50000
   54    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   39    33    37    85.00000  110.90400
   39    33    49    50.00000  109.50000
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    49    48   0.56750  1.0 1.0
   29    33    49    48  -0.07550 -1.0 2.0
   29    33    49    48   0.20000  1.0 3.0
   29    33    49    52   0.56750  1.0 1.0
   29    33    49    52  -0.07550 -1.0 2.0
   29    33    49    52   0.20000  1.0 3.0
   29    33    49    63   0.56750  1.0 1.0
   29    33    49    63  -0.07550 -1.0 2.0
   29    33    49    63   0.20000  1.0 3.0
   29    33    39    42   0.14700  1.0 1.0
   29    33    39    42  -1.16150 -1.0 2.0
   29    33    39    42   0.48700  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    46   7.00000 -1.0 2.0
   33    49    52    53   0.30150 -1.0 2.0
   33    49    52    55   0.05850 -1.0 2.0
   33    49    52    55   0.17250  1.0 3.0
   33    49    63    60  -0.32850  1.0 1.0
   33    49    63    60  -0.35800 -1.0 2.0
   33    49    63    60   0.33950  1.0 3.0
   33    39    42    43   0.37050  1.0 3.0
   33    39    42    44   0.37050  1.0 3.0
   33    39    42    45   0.37050  1.0 3.0
   37    33    49    48   0.31000  1.0 1.0
   37    33    49    48   0.14700 -1.0 2.0
   37    33    49    48   0.07550  1.0 3.0
   37    33    49    52  -0.98800  1.0 1.0
   37    33    49    52   0.48800 -1.0 2.0
   37    33    49    52   0.76800  1.0 3.0
   37    33    49    63   0.61850  1.0 1.0
   37    33    49    63  -0.22750 -1.0 2.0
   37    33    49    63   0.15300  1.0 3.0
   37    33    39    42  -0.77900  1.0 1.0
   37    33    39    42  -0.36900 -1.0 2.0
   37    33    39    42   0.40400  1.0 3.0
   37    40    46    47   7.00000 -1.0 2.0
   37    40   -46    48   7.00000 -1.0 2.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    46   7.00000 -1.0 2.0
   40    46    48    49   7.00000 -1.0 2.0
   40    46    48    50   7.00000 -1.0 2.0
   41    40    46    47   7.00000 -1.0 2.0
   41    40    46    48   7.00000 -1.0 2.0
   46    48   -49    33   0.09850  1.0 1.0
   46    48   -49    33   0.15250 -1.0 2.0
   46    48   -49    33  -0.50650  1.0 3.0
   46    48    49    52  -0.51250  1.0 1.0
   46    48    49    52  -0.88800 -1.0 2.0
   46    48    49    52   0.08850  1.0 3.0
   46    48    49    63   0.39000  1.0 1.0
   46    48    49    63  -0.05800 -1.0 2.0
   46    48    49    63  -0.55150  1.0 3.0
   46    48    50    51   1.00000 -1.0 2.0
   46    48    50    54  -0.56150  1.0 1.0
   46    48    50    54   2.19150 -1.0 2.0
   47    46    48    49   7.00000 -1.0 2.0
   47    46    48    50   7.00000 -1.0 2.0
   48    49    52    53   0.30150 -1.0 2.0
   48    49    52    55   0.65300  1.0 1.0
   48    49    52    55  -0.03850 -1.0 2.0
   48    49    52    55   0.33900  1.0 3.0
   48    49    63    60  -0.25600  1.0 1.0
   48    49    63    60  -0.40050 -1.0 2.0
   48    49    63    60   0.34700  1.0 3.0
   48    50    54    56   2.00000 -1.0 2.0
   49    33    37    38   0.00000  1.0 1.0
   49    33   -37    40   0.09850  1.0 1.0
   49    33   -37    40   0.15250 -1.0 2.0
   49    33   -37    40  -0.50650  1.0 3.0
   49    33    39    42   0.06250  1.0 1.0
   49    33    39    42  -0.01100 -1.0 2.0
   49    33    39    42   0.28050  1.0 3.0
   49    48    50    51  -0.64400  1.0 1.0
   49    48    50    51   0.26850 -1.0 2.0
   49    48    50    54  -0.15000  1.0 1.0
   49    48    50    54   0.89550 -1.0 2.0
   49    48    50    54  -0.06900  1.0 3.0
   49    52   -55    60   2.26350  1.0 1.0
   49    52   -55    60   0.76750 -1.0 2.0
   49    52   -55    60   0.22500  1.0 3.0
   49    52    55    71   2.26350  1.0 1.0
   49    52    55    71   0.76750 -1.0 2.0
   49    52    55    71   0.22500  1.0 3.0
   52    49   -63    60  -0.25600  1.0 1.0
   52    49   -63    60  -0.40050 -1.0 2.0
   52    49   -63    60   0.34700  1.0 3.0
   52    55    60    61   3.62500 -1.0 2.0
   52    55   -60    63   3.62500 -1.0 2.0
   52    55    71    65   3.62500 -1.0 2.0
   52    55    71    72   3.62500 -1.0 2.0
   53    52    55    60   1.05000 -1.0 2.0
   53    52    55    71   1.05000 -1.0 2.0
   55    60    61    62   3.62500 -1.0 2.0
   55    60    61    64   3.62500 -1.0 2.0
   55    60   -63    49   1.63200 -1.0 2.0
   55    71    72    73   0.84100 -1.0 2.0
   60    55    71    65   3.62500 -1.0 2.0
   60    55    71    72   3.62500 -1.0 2.0
   60    61   -64    65   3.62500 -1.0 2.0
   60    61    64    67   3.62500 -1.0 2.0
   61    60    63    49   1.63200 -1.0 2.0
   61    64    65    66   3.62500 -1.0 2.0
   61    64    65    71   3.62500 -1.0 2.0
   61    64    67    68   0.00000  1.0 1.0
   61    64    67    69   0.00000  1.0 1.0
   61    64    67    70   0.00000  1.0 1.0
   62    61    64    65   3.62500 -1.0 2.0
   62    61    64    67   3.62500 -1.0 2.0
   64    65   -71    55   3.62500 -1.0 2.0
   64    65    71    72   3.62500 -1.0 2.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    69   0.00000  1.0 1.0
   65    64    67    70   0.00000  1.0 1.0
   65    71    72    73   0.84100 -1.0 2.0
   66    65    71    55   3.62500 -1.0 2.0
   66    65    71    72   3.62500 -1.0 2.0
   71    55   -60    61   3.62500 -1.0 2.0
   71    55    60    63   3.62500 -1.0 2.0
   67    64    65    66   3.62500 -1.0 2.0
   67    64    65    71   3.62500 -1.0 2.0
   63    49    52    53   0.30150 -1.0 2.0
   63    49   -52    55   0.65300  1.0 1.0
   63    49   -52    55  -0.03850 -1.0 2.0
   63    49   -52    55   0.33900  1.0 3.0
   63    60    61    62   3.62500 -1.0 2.0
   63    60    61    64   3.62500 -1.0 2.0
   50    48    49    33   0.09700  1.0 1.0
   50    48    49    33   0.15600 -1.0 2.0
   50    48    49    33  -0.50800  1.0 3.0
   50    48    49    52   0.09700  1.0 1.0
   50    48    49    52   0.15600 -1.0 2.0
   50    48    49    52  -0.50800  1.0 3.0
   50    48    49    63   0.09700  1.0 1.0
   50    48    49    63   0.15600 -1.0 2.0
   50    48    49    63  -0.50800  1.0 3.0
   50    54    56    57   0.08050  1.0 3.0
   50    54    56    58   0.08050  1.0 3.0
   50    54    56    59   0.08050  1.0 3.0
   51    50    54    56   3.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.39000  1.0 1.0
   39    33    37    40  -0.05800 -1.0 2.0
   39    33    37    40  -0.55150  1.0 3.0
   39    33    49    48   0.61850  1.0 1.0
   39    33    49    48  -0.22750 -1.0 2.0
   39    33    49    48   0.15300  1.0 3.0
   39    33    49    52  -0.09450  1.0 1.0
   39    33    49    52  -1.12950 -1.0 2.0
   39    33    49    52   0.54000  1.0 3.0
   39    33    49    63   1.11900  1.0 1.0
   39    33    49    63  -1.16350 -1.0 2.0
   39    33    49    63  -0.34150  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    40   1.10000 -1.0 2.0
   46    41    40    37   1.10000 -1.0 2.0
   40    47    46    48   1.10000 -1.0 2.0
   50    49    48    46   1.10000 -1.0 2.0
   49    55    52    53  10.50000 -1.0 2.0
   60    71    55    52   4.00000 -1.0 2.0
   61    63    60    55   4.00000 -1.0 2.0
   64    62    61    60   1.10000 -1.0 2.0
   65    67    64    61   4.00000 -1.0 2.0
   71    66    65    64   1.10000 -1.0 2.0
   65    72    71    55   4.00000 -1.0 2.0
   48    54    50    51  10.50000 -1.0 2.0
END
