* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    154    232     445
    1     0 S   NP   _N1_     1    30.30630    91.94772   -17.92712
    2     1 S   H    _HN1     2     1.02912   112.45148   122.36218
    3     1 S   H    _H1_     3     1.02822    15.13061    51.55657
    4     1 S   H    _H2_     4     1.03211   116.16933    -1.70697
    5     1 S   CT   _CA1     5     1.49752    96.39772  -121.60098
    6     5 S   HC   _HA1     6     1.09551   105.33992    61.21538
    7     5 S   CO3  _C1_     7     1.53736   112.59998   -59.25253
    8     7 S   O2Z  _O11     8     1.26364   115.13504   -46.96659
    9     7 S   O2Z  _O12     9     1.26265   114.91367   132.55755
   10     5 S   CT   _CB1    10     1.52924   107.51286   179.22418
   11    10 S   HC   HB11    11     1.09701   109.24384   -52.98426
   12    10 S   HC   HB12    12     1.09807   110.32579    63.07377
   13    10 S   CT   _CG1    13     1.53124   112.96275  -174.34099
   14    13 S   HC   HG11    14     1.09571   111.13366   -72.45604
   15    13 S   HC   HG12    15     1.09584   110.83625    46.98788
   16    13 S   C    _CD1    16     1.51345   110.09374   166.44306
   17    16 S   O    _OE1    17     1.22798   121.74240  -103.92716
   18    16 S   N    _N2_    18     1.38330   112.93067    74.42769
   19    18 S   H    _HN2    19     1.01567   119.20109     6.28403
   20    18 S   CT1  _CA2    20     1.46064   123.16211  -172.68455
   21    20 S   HC   _HA2    21     1.09608   109.26368     0.41307
   22    20 S   C    _C2_    22     1.53347   109.12420  -115.37124
   23    22 S   O    _O2_    23     1.23050   122.10053  -144.86089
   24    20 S   CT   _CB2    32     1.53469   111.27498   122.03184
   25    24 S   HC   HB21    33     1.09661   109.55727    66.41456
   26    24 S   HC   HB22    34     1.09569   110.95205  -176.21380
   27    22 S   N    _N3_    24     1.38463   113.62251    42.48774
   28    27 S   H    _HN3    25     1.01494   119.07331     0.02798
   29    24 S   S    _SG2    35     1.82793   114.29954   -52.75655
   30    27 S   CT   _CA3    26     1.45429   123.16270   175.54447
   31    30 S   HC   HA31    27     1.09544   108.90594    30.44414
   32    30 S   HC   HA32    28     1.09489   107.19403   147.36635
   33    29 S   CT   _C21    36     1.82155   100.00973   -71.03245
   34    33 S   HC   _H17    37     1.09468   108.45647   -61.82401
   35    33 S   HC   _H18    38     1.09263   110.35760    55.27313
   36    30 S   CO3  _C3_    29     1.52938   113.38494   -92.82321
   37    36 S   O2Z  _O31    30     1.26379   115.51885   -42.77917
   38    36 S   O2Z  _O32    31     1.26376   114.90894   138.19998
   39    33 S   CM   _C19    39     1.50210   109.37420   176.45829
   40    39 S   CMA  _C20    40     1.34900   127.19635    98.62249
   41    40 S   OM   _O38    41     1.26322   127.78614     0.73728
   42    40 S   OS   _O37    42     1.41553   110.13747  -179.04941
   43    42 S   CT   _C17    43     1.44291   108.31729     5.40037
   44    43 S   HC   _H4_    44     1.09434   104.86600  -130.22397
   45    43 S   CM   _C16    45     1.52220   108.53432   114.65978
   46    45 S   HC   _H16    46     1.08865   115.75412    -9.47079
   47    39 S   CT   _C18    59     1.50283   120.70039   -82.45537
   48    47 S   HC   _H5_    60     1.09425   107.46771    56.82608
   49    45 S   CM   _C15    47     1.35510   125.99159   167.91605
   50    49 S   CM   _C14    48     1.44867   119.79958     2.56269
   51    49 S   CT   _C22    80     1.52912   122.18800  -174.64851
   52    51 S   OM   _O39    81     1.32440   107.13882  -105.59480
   53    51 S   HC   _H19    82     1.10255   105.82741   126.80691
   54    51 S   HC   _H20    83     1.10286   106.29597    21.27381
   55    50 S   CM   _C13    49     1.33014   127.86126  -110.60694
   56    55 S   HC   _H15    50     1.07321   131.18715    -4.39008
   57    55 S   CO4  _C12    51     1.46340   100.41307   165.36118
   58    57 S   O    _O35    52     1.22073   123.53175   173.45090
   59    57 S   CT   _C11    53     1.51431   110.08456   -10.15666
   60    59 S   CT   _C10    54     1.54178   110.67592   -92.89120
   61    60 S   HC   _H13    55     1.09872   109.83776    23.86197
   62    60 S   HC   _H14    56     1.09933   108.58147   -87.43682
   63    50 S   OS   _O36    75     1.38875   114.53869    63.15560
   64    59 S   CT   _C23    76     1.51714   112.67796   138.77644
   65    64 S   HC   _H21    77     1.09364   110.77572  -172.78341
   66    64 S   HC   _H22    78     1.09475   111.58945    66.11542
   67    64 S   HC   _H23    79     1.09598   111.02312   -54.31108
   68    60 S   CT   _C9_    57     1.55115   118.31335   148.12273
   69    68 S   HC   _H3_    58     1.09664   108.43150    66.74037
   70    68 S   OS   _O34    61     1.45411   105.92812  -175.93919
   71    70 S   CO4  _C8_    62     1.35760   117.97421   -89.64626
   72    71 S   O    _O33    63     1.22099   126.92649     2.11849
   73    71 S   CM   _C6_    64     1.48533   108.49142  -177.16000
   74    73 S   CM   _C5_    65     1.34480   120.62682  -137.27009
   75    74 S   HC   _H9_    66     1.08921   117.77632  -177.59735
   76    73 S   CT   _C7_    71     1.50084   116.89988    45.15842
   77    76 S   HC   _H10    72     1.09475   110.66203   -71.48852
   78    76 S   HC   _H11    73     1.09517   110.44938    48.83732
   79    76 S   HC   _H12    74     1.09522   111.93354   168.42589
   80    74 S   CT   _C4_    67     1.49570   128.23319     4.16114
   81    80 S   HC   _H6_    68     1.09401   109.99163  -108.64385
   82    80 S   HC   _H7_    69     1.09507   109.33435   132.83730
   83    80 S   HC   _H8_    70     1.09246   113.49721    13.53016
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   8  12   6  12   4  10   4
  10  12   5   2   1   1   7   4  11   4  11  11   6   5   5   4
   2   1   1   5   2   5   9   3  10   9   5   4   2   1   1   3
   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    68    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    60    68    69    47    48    70  
   41    42    43    44    45    68    47    48  
   42    43    47  
   43    44    45    46    49    68    47    48  
   44    45    46    49    50    60    68    69    47    48    70    51  
   45    46    49    68    47    48  
   46    49    50    55    68    47    48    63    51    52    53    54  
   49    50    47    51  
   48    70    71    49    59    60    61    62    68    69  
   70    60    68    69  
   50    55    56    57    59    63    51    52    53    54  
   55    56    57    58    59    60    63    64    51    52    53    54  
   52    53    54    55    63  
   53    54  
   54  
    0  
   56    57    58    59    60    63    64  
   57    58    59    63  
   58    59    60    61    62    68    63    64    65    66    67  
   59    60    63    64  
   60    61    62    68    69    70    63    64    65    66    67  
   61    62    68    69    70    71    63    64    65    66    67  
   62    68    69    70    63    64  
   68    69    70    63    64  
   64    65    66    67    68  
   65    66    67    68  
   66    67  
   67  
    0  
   69    70    71    72    73  
   70    71  
   71    72    73    74    76  
   72    73    74    75    80    76    77    78    79  
   73    74    76  
   74    75    80    81    82    83    76    77    78    79  
   75    80    81    82    83    76    77    78    79  
   80    81    82    83    76  
   77    78    79    80  
   78    79  
   79  
    0  
   81    82    83  
   82    83  
   83  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   51   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   53   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    47   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   317.000  1.510
   43    47   268.000  1.529
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    50   380.000  1.444
   49    51   317.000  1.510
   50    55   549.000  1.340
   50    63   440.000  1.360
   55    56   340.000  1.080
   55    57   320.000  1.462
   57    58   570.000  1.229
   57    59   317.000  1.522
   59    60   268.000  1.529
   59    63   320.000  1.410
   59    64   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    68   268.000  1.529
   68    69   340.000  1.090
   68    47   268.000  1.529
   68    70   320.000  1.410
   47    48   340.000  1.090
   70    71   214.000  1.327
   71    72   570.000  1.229
   71    73   320.000  1.462
   73    74   549.000  1.340
   73    76   317.000  1.510
   74    75   340.000  1.080
   74    80   317.000  1.510
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   51    52   570.000  1.307
   51    53   340.000  1.090
   51    54   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    47    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    47    43    70.00000  112.02700
   39    47    68    70.00000  112.02700
   39    47    48    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    85.00000  110.90400
   42    43    47    50.00000  109.50000
   43    45    46    35.00000  117.00000
   43    45    49    70.00000  124.00000
   43    47    68    58.35000  112.70000
   43    47    48    37.50000  110.70000
   45    43    44    35.00000  109.50000
   45    49    50    70.00000  123.01800
   45    49    51    70.00000  124.00000
   49    45    46    35.00000  120.00000
   49    50    55    70.00000  123.01800
   49    50    63    80.00000  120.01400
   49    51    52    85.00000  110.90400
   49    51    53    35.00000  109.50000
   49    51    54    35.00000  109.50000
   50    55    56    35.00000  120.00000
   50    55    57    65.00000  118.96000
   50    63    59    90.00000  111.18400
   55    57    58    80.00000  123.72100
   55    57    59    65.00000  118.62400
   57    55    56    40.00000  117.72500
   57    59    60    63.00000  111.10000
   57    59    63    90.00000  108.74100
   57    59    64    63.00000  111.10000
   59    57    58    80.00000  120.40000
   59    60    61    37.50000  110.70000
   59    60    62    37.50000  110.70000
   59    60    68    58.35000  112.70000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    67    37.50000  110.70000
   60    68    69    37.50000  110.70000
   60    68    47    58.35000  112.70000
   60    68    70    50.00000  109.50000
   62    60    61    33.00000  107.80000
   68    60    61    37.50000  110.70000
   68    60    62    37.50000  110.70000
   68    47    48    37.50000  110.70000
   68    70    71    83.00000  116.90000
   47    39    40    70.00000  124.00000
   47    43    44    37.50000  110.70000
   47    43    45    70.00000  112.02700
   47    68    69    37.50000  110.70000
   70    68    69    35.00000  109.50000
   70    68    47    50.00000  109.50000
   70    71    72    83.00000  123.40000
   70    71    73    90.00000  111.29400
   71    73    74    65.00000  118.96000
   71    73    76    65.00000  116.34900
   73    71    72    80.00000  123.72100
   73    74    75    35.00000  120.00000
   73    74    80    70.00000  124.00000
   73    76    77    35.00000  109.50000
   73    76    78    35.00000  109.50000
   73    76    79    35.00000  109.50000
   74    80    81    35.00000  109.50000
   74    80    82    35.00000  109.50000
   74    80    83    35.00000  109.50000
   80    74    75    35.00000  117.00000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   76    73    74    70.00000  124.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   63    50    55    80.00000  120.01400
   63    59    60    50.00000  109.50000
   64    59    60    58.35000  112.70000
   64    59    63    50.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   51    49    50    70.00000  124.00000
   53    51    52    45.00000  125.66300
   54    51    52    45.00000  125.66300
   54    51    53    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    47   0.30250  1.0 1.0
   29    33    39    47  -0.14950 -1.0 2.0
   29    33    39    47   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    47    43   0.46850  1.0 1.0
   33    39    47    43   0.08550 -1.0 2.0
   33    39    47    43   0.09800  1.0 3.0
   33    39    47    68   0.46850  1.0 1.0
   33    39    47    68   0.08550 -1.0 2.0
   33    39    47    68   0.09800  1.0 3.0
   33    39    47    48   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -47    43   0.09850  1.0 1.0
   40    39   -47    43   0.15250 -1.0 2.0
   40    39   -47    43  -0.50650  1.0 3.0
   40    39    47    68   0.09850  1.0 1.0
   40    39    47    68   0.15250 -1.0 2.0
   40    39    47    68  -0.50650  1.0 3.0
   40    39    47    48   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.48150  1.0 1.0
   40    42    43    45   0.09250 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    47  -0.46850  1.0 1.0
   40    42   -43    47   0.09300 -1.0 2.0
   40    42   -43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    49   0.39000  1.0 1.0
   42    43    45    49  -0.05800 -1.0 2.0
   42    43    45    49  -0.55150  1.0 3.0
   42    43   -47    39   0.61850  1.0 1.0
   42    43   -47    39  -0.22750 -1.0 2.0
   42    43   -47    39   0.15300  1.0 3.0
   42    43    47    68   0.62750  1.0 1.0
   42    43    47    68  -0.30950 -1.0 2.0
   42    43    47    68   0.27300  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   43    45    49    50   7.00000 -1.0 2.0
   43    45    49    51   7.00000 -1.0 2.0
   44    43    45    46   0.33100  1.0 3.0
   44    43    45    49   0.00000  1.0 1.0
   44    43    47    39   0.15000  1.0 3.0
   44    43    47    68   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   45    43    47    39   0.31000  1.0 1.0
   45    43    47    39   0.14700 -1.0 2.0
   45    43    47    39   0.07550  1.0 3.0
   45    43    47    68   0.34400  1.0 1.0
   45    43    47    68   0.09450 -1.0 2.0
   45    43    47    68   0.11100  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    49    50    55   0.28850  1.0 1.0
   45    49    50    55   2.61350 -1.0 2.0
   45    49    50    55   0.78400  1.0 3.0
   45    49    50    63  -0.51250  1.0 1.0
   45    49    50    63   1.23350 -1.0 2.0
   45    49    51    52   0.39000  1.0 1.0
   45    49    51    52  -0.05800 -1.0 2.0
   45    49    51    52  -0.55150  1.0 3.0
   45    49    51    53   0.00000  1.0 1.0
   45    49    51    54   0.00000  1.0 1.0
   46    45    49    50   7.00000 -1.0 2.0
   46    45    49    51   7.00000 -1.0 2.0
   49    50    55    56   7.00000 -1.0 2.0
   49    50    55    57   7.00000 -1.0 2.0
   49    50    63    59  -2.26850  1.0 1.0
   49    50    63    59   3.39050 -1.0 2.0
   50    49    51    52   0.39000  1.0 1.0
   50    49    51    52  -0.05800 -1.0 2.0
   50    49    51    52  -0.55150  1.0 3.0
   50    49    51    53   0.00000  1.0 1.0
   50    49    51    54   0.00000  1.0 1.0
   50    55    57    58   1.00000 -1.0 2.0
   50    55   -57    59  -0.33500  1.0 1.0
   50    55   -57    59   1.06600 -1.0 2.0
   50    55   -57    59  -0.14000  1.0 3.0
   55    50   -63    59  -2.26850  1.0 1.0
   55    50   -63    59   3.39050 -1.0 2.0
   55    57    59    60   0.65300  1.0 1.0
   55    57    59    60  -0.03850 -1.0 2.0
   55    57    59    60   0.33900  1.0 3.0
   55    57   -59    63   0.65300  1.0 1.0
   55    57   -59    63  -0.03850 -1.0 2.0
   55    57   -59    63   0.33900  1.0 3.0
   55    57    59    64   0.65300  1.0 1.0
   55    57    59    64  -0.03850 -1.0 2.0
   55    57    59    64   0.33900  1.0 3.0
   56    55    57    58   0.00000  1.0 1.0
   56    55    57    59   0.04550  1.0 1.0
   56    55    57    59   0.83000 -1.0 2.0
   56    55    57    59  -0.04000  1.0 3.0
   57    59    60    61  -0.11250  1.0 3.0
   57    59    60    62  -0.11250  1.0 3.0
   57    59    60    68  -0.95700  1.0 1.0
   57    59    60    68  -0.18200 -1.0 2.0
   57    59    60    68   0.29450  1.0 3.0
   57    59   -63    50  -0.48150  1.0 1.0
   57    59   -63    50   0.09250 -1.0 2.0
   57    59   -63    50  -0.12850  1.0 3.0
   57    59    64    65  -0.11250  1.0 3.0
   57    59    64    66  -0.11250  1.0 3.0
   57    59    64    67  -0.11250  1.0 3.0
   58    57    59    60   0.30150 -1.0 2.0
   58    57    59    63   0.30150 -1.0 2.0
   58    57    59    64   0.30150 -1.0 2.0
   59    60    68    69   0.15000  1.0 3.0
   59    60    68    47   0.56750  1.0 1.0
   59    60    68    47  -0.07550 -1.0 2.0
   59    60    68    47   0.20000  1.0 3.0
   59    60    68    70   0.62750  1.0 1.0
   59    60    68    70  -0.30950 -1.0 2.0
   59    60    68    70   0.27300  1.0 3.0
   60    59    63    50  -0.46850  1.0 1.0
   60    59    63    50   0.09300 -1.0 2.0
   60    59    63    50  -0.12850  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    67   0.15000  1.0 3.0
   60    68    47    39   0.34400  1.0 1.0
   60    68    47    39   0.09450 -1.0 2.0
   60    68    47    39   0.11100  1.0 3.0
   60    68    47    43   0.56750  1.0 1.0
   60    68    47    43  -0.07550 -1.0 2.0
   60    68    47    43   0.20000  1.0 3.0
   60    68    47    48   0.15000  1.0 3.0
   60    68    70    71  -0.25900  1.0 1.0
   60    68    70    71  -0.47000 -1.0 2.0
   60    68    70    71   0.11750  1.0 3.0
   61    60    68    69   0.15000  1.0 3.0
   61    60    68    47   0.15000  1.0 3.0
   61    60    68    70   0.23400  1.0 3.0
   62    60    68    69   0.15000  1.0 3.0
   62    60    68    47   0.15000  1.0 3.0
   62    60    68    70   0.23400  1.0 3.0
   68    70    71    72   3.00000 -1.0 2.0
   68    70    71    73   2.00000 -1.0 2.0
   69    68    47    39   0.15000  1.0 3.0
   69    68    47    43   0.15000  1.0 3.0
   69    68    47    48   0.15000  1.0 3.0
   69    68    70    71   0.08050  1.0 3.0
   47    39    40    41   7.00000 -1.0 2.0
   47    39   -40    42   7.00000 -1.0 2.0
   47    43    45    46   0.00000  1.0 1.0
   47    43    45    49   0.09850  1.0 1.0
   47    43    45    49   0.15250 -1.0 2.0
   47    43    45    49  -0.50650  1.0 3.0
   47    68    70    71  -0.25900  1.0 1.0
   47    68    70    71  -0.47000 -1.0 2.0
   47    68    70    71   0.11750  1.0 3.0
   70    68    47    39   0.61850  1.0 1.0
   70    68    47    39  -0.22750 -1.0 2.0
   70    68    47    39   0.15300  1.0 3.0
   70    68    47    43   0.62750  1.0 1.0
   70    68    47    43  -0.30950 -1.0 2.0
   70    68    47    43   0.27300  1.0 3.0
   70    68    47    48   0.23400  1.0 3.0
   70    71    73    74  -0.56150  1.0 1.0
   70    71    73    74   2.19150 -1.0 2.0
   70    71    73    76  -0.15000  1.0 1.0
   70    71    73    76   0.89550 -1.0 2.0
   70    71    73    76  -0.06900  1.0 3.0
   71    73    74    75   7.00000 -1.0 2.0
   71    73    74    80   7.00000 -1.0 2.0
   71    73    76    77   0.15000  1.0 3.0
   71    73    76    78   0.15000  1.0 3.0
   71    73    76    79   0.15000  1.0 3.0
   72    71    73    74   1.00000 -1.0 2.0
   72    71    73    76  -0.64400  1.0 1.0
   72    71    73    76   0.26850 -1.0 2.0
   73    74    80    81   0.00000  1.0 1.0
   73    74    80    82   0.00000  1.0 1.0
   73    74    80    83   0.00000  1.0 1.0
   74    73    76    77   0.00000  1.0 1.0
   74    73    76    78   0.00000  1.0 1.0
   74    73    76    79   0.00000  1.0 1.0
   75    74    80    81   0.33100  1.0 3.0
   75    74    80    82   0.33100  1.0 3.0
   75    74    80    83   0.33100  1.0 3.0
   76    73    74    75   7.00000 -1.0 2.0
   76    73    74    80   7.00000 -1.0 2.0
   63    50    55    56   7.00000 -1.0 2.0
   63    50   -55    57   7.00000 -1.0 2.0
   63    59    60    61   0.23400  1.0 3.0
   63    59    60    62   0.23400  1.0 3.0
   63    59    60    68   0.62750  1.0 1.0
   63    59    60    68  -0.30950 -1.0 2.0
   63    59    60    68   0.27300  1.0 3.0
   63    59    64    65   0.23400  1.0 3.0
   63    59    64    66   0.23400  1.0 3.0
   63    59    64    67   0.23400  1.0 3.0
   64    59    60    61   0.15000  1.0 3.0
   64    59    60    62   0.15000  1.0 3.0
   64    59    60    68   0.56750  1.0 1.0
   64    59    60    68  -0.07550 -1.0 2.0
   64    59    60    68   0.20000  1.0 3.0
   64    59    63    50  -0.46850  1.0 1.0
   64    59    63    50   0.09300 -1.0 2.0
   64    59    63    50  -0.12850  1.0 3.0
   51    49    50    55  -0.18600  1.0 3.0
   51    49    50    63   1.08500 -1.0 2.0
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
   37    30    36    38  10.50000 -1.0 2.0
   33    47    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   43    46    45    49   1.10000 -1.0 2.0
   50    51    49    45   1.10000 -1.0 2.0
   49    63    50    55   1.10000 -1.0 2.0
   57    56    55    50   1.10000 -1.0 2.0
   55    59    57    58  10.50000 -1.0 2.0
   70    73    71    72  10.50000 -1.0 2.0
   71    76    73    74  15.00000 -1.0 2.0
   80    75    74    73  15.00000 -1.0 2.0
END
