* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    154    235     448
    1     0 S   NP   _N1_     1    29.39124    98.15484   -24.39104
    2     1 S   H    _HN1     2     1.02950    56.96004     3.50889
    3     1 S   H    _H1_     3     1.02829    50.48874   175.98302
    4     1 S   H    _H2_     4     1.02793   116.40487   -92.03496
    5     1 S   CT   _CA1     5     1.50118   131.32560    92.52177
    6     5 S   HC   _HA1     6     1.09576   105.18438   114.37801
    7     5 S   CO3  _C1_     7     1.53777   112.37798    -5.86444
    8     7 S   O2Z  _O11     8     1.26377   115.01236   -44.57744
    9     7 S   O2Z  _O12     9     1.26231   114.94235   134.42191
   10     5 S   CT   _CB1    10     1.53062   107.40937  -127.66384
   11    10 S   HC   HB11    11     1.09841   109.37650   -49.48097
   12    10 S   HC   HB12    12     1.09811   110.47875    67.12503
   13    10 S   CT   _CG1    13     1.53011   112.59587  -170.39946
   14    13 S   HC   HG11    14     1.09575   110.72273   -66.26367
   15    13 S   HC   HG12    15     1.09672   109.70898    52.97215
   16    13 S   C    _CD1    16     1.51819   112.01923   173.48269
   17    16 S   O    _OE1    17     1.22755   123.18869    11.38879
   18    16 S   N    _N2_    18     1.38657   111.77547  -168.76216
   19    18 S   H    _HN2    19     1.01601   119.08319     1.59986
   20    18 S   CT1  _CA2    20     1.46223   123.30288   176.80377
   21    20 S   HC   _HA2    21     1.09754   108.97739    11.01458
   22    20 S   C    _C2_    22     1.53735   110.58324  -104.50422
   23    22 S   O    _O2_    23     1.23128   121.65041  -163.66843
   24    20 S   CT   _CB2    32     1.53367   111.06101   132.68460
   25    24 S   HC   HB21    33     1.09473   109.79766    52.38134
   26    24 S   HC   HB22    34     1.09488   110.73812   171.74467
   27    22 S   N    _N3_    24     1.38120   114.53562    22.82209
   28    27 S   H    _HN3    25     1.01518   119.55995    -4.05338
   29    24 S   S    _SG2    35     1.82842   111.07441   -68.65308
   30    27 S   CT   _CA3    26     1.45260   123.31068   177.59271
   31    30 S   HC   HA31    27     1.09551   107.77315   -58.00816
   32    30 S   HC   HA32    28     1.09554   107.72750    58.43168
   33    29 S   CT   _C5_    36     1.83628    99.51529   177.33097
   34    33 S   HC   _H3_    37     1.09424   106.80154    36.45481
   35    30 S   CO3  _C3_    29     1.52980   114.00771  -179.83449
   36    35 S   O2Z  _O31    30     1.26400   116.08597    -1.38084
   37    35 S   O2Z  _O32    31     1.26432   114.44643   178.58875
   38    33 S   CM   _C6_    38     1.53275   110.55931   -85.25450
   39    33 S   CT   _C4_    80     1.53110   108.95384   149.82139
   40    39 S   HC   _H7_    81     1.09572   112.73620    57.57785
   41    39 S   HC   _H8_    82     1.09635   110.83339   -63.11590
   42    39 S   HC   _H9_    83     1.09611   110.48618   178.25594
   43    38 S   CMA  _C7_    39     1.36766   122.96688   107.90968
   44    43 S   OM   _O33    40     1.26877   125.51667   179.40160
   45    38 S   CT   _C23    76     1.52131   115.27153   -73.52234
   46    45 S   HC   _H21    77     1.09472   110.27321   -69.00733
   47    45 S   HC   _H22    78     1.09426   113.46829   170.87249
   48    45 S   HC   _H23    79     1.09432   110.96483    51.29355
   49    43 S   OS   _O34    41     1.41413   111.75429    -3.34597
   50    49 S   CT   _C8_    42     1.44757   116.68639   135.55157
   51    50 S   HC   _H4_    43     1.09732   111.41199    29.50140
   52    50 S   CT   _C9_    44     1.55299   106.10054   -88.34360
   53    52 S   HC   _H10    45     1.09882   107.69067   -48.76928
   54    52 S   HC   _H11    46     1.09921   108.80597    61.84880
   55    50 S   CT   _C17    58     1.56112   106.82088   146.13204
   56    55 S   HC   _H6_    59     1.09493   109.00653  -168.77547
   57    52 S   CT   _C10    47     1.54128   118.29891  -173.73359
   58    55 S   CM   _C18    60     1.49461   113.08671   -50.44282
   59    57 S   CO4  _C11    48     1.51446   110.57433   149.52582
   60    59 S   O    _O35    49     1.22079   126.28536    84.16196
   61    58 S   CO4  _C20    61     1.46964   110.28348   115.08511
   62    61 S   O    _O37    62     1.21798   126.80806  -175.51952
   63    58 S   CM   _C19    64     1.33644   127.92390   -65.61901
   64    63 S   HC   _H14    65     1.08497   120.72045     0.62807
   65    63 S   HC   _H15    66     1.08487   121.82598  -179.82529
   66    57 S   CT   _C22    72     1.51724   113.66615   -81.97840
   67    66 S   HC   _H18    73     1.09531   110.88817    61.93760
   68    66 S   HC   _H19    74     1.09475   111.55507   -59.40306
   69    66 S   HC   _H20    75     1.09617   110.94864  -179.68847
   70    59 S   CM   _C12    50     1.46459   110.05364   -91.98811
   71    70 S   HC   _H12    51     1.07310   127.54855   160.06072
   72    82 S   OS   _O38    63     1.44641   107.94116   170.53986
   73    70 S   CM   _C13    52     1.33025   100.39592   -10.39972
   74    73 S   CM   _C14    53     1.44889   128.17002   165.88008
   75    57 S   OS   _O36    71     1.43145   110.10764    40.81571
   76    74 S   CM   _C15    54     1.35529   120.07805  -112.77553
   77    76 S   HC   _H13    55     1.08895   117.74712   179.60634
   78    74 S   CT   _C21    67     1.53018   117.93745    64.45256
   79    78 S   OM   _O39    68     1.32452   107.12710    79.20098
   80    78 S   HC   _H16    69     1.10249   105.94884   -48.49459
   81    78 S   HC   _H17    70     1.10297   106.24181  -153.96627
   82    76 S   CT   _C16    56     1.51970   126.48109     2.93772
   83    82 S   HC   _H5_    57     1.09461   108.12061    57.45996
  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   9   5   4   3
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
  10  17   8  16   6   5  14   7  11   9  10   5   8   3   4   1
   1   6   3   2   1   6   3   5   9   9   2   7   3   4   2   1
   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    55    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    54    57    82    55    56    58  
   51    52    53    54    57    59    76    82    83    55    56    58    61    72    63    75    66  
   52    53    54    57    82    55    56    58  
   53    54    57    59    60    70    73    82    55    56    58    75    66    67    68    69  
   54    57    59    55    75    66  
   57    59    55    75    66  
   56    58    61    62    72    63    64    65    57    74    76    77    82    83  
   58    61    72    63    76    82    83  
   59    60    70    71    73    74    75    66    67    68    69  
   61    62    72    63    64    65    76    82    83  
   60    70    71    73    74    75    66    67    68    69  
   70    71    73    75    66  
   62    72    63    64    65    76    82    83  
   72    63    82  
   64    65    72    82  
   65  
    0  
   67    68    69    70    73    75  
   68    69    75  
   69    75  
   75  
   71    73    74    76    78    75  
   73    74    75  
   74    76    77    82    83  
   74    76    77    82    78    79    80    81    75  
   76    77    82    83    78    79    80    81    75  
   76    78  
   77    82    83    78    79    80    81  
   82    83    78  
   79    80    81    82  
   80    81  
   81  
    0  
   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   0.107500   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   76   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   79   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   80   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   83   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   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    55   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    59   317.000  1.522
   57    75   320.000  1.410
   57    66   268.000  1.529
   59    60   570.000  1.229
   59    70   320.000  1.462
   70    71   340.000  1.080
   70    73   549.000  1.340
   73    74   380.000  1.444
   73    75   440.000  1.360
   74    76   549.000  1.340
   74    78   317.000  1.510
   76    77   340.000  1.080
   76    82   317.000  1.510
   82    83   340.000  1.090
   82    55   268.000  1.529
   82    72   320.000  1.410
   55    56   340.000  1.090
   55    58   317.000  1.510
   58    61   320.000  1.462
   58    63   549.000  1.340
   61    62   570.000  1.229
   61    72   214.000  1.327
   63    64   340.000  1.080
   63    65   340.000  1.080
   78    79   570.000  1.307
   78    80   340.000  1.090
   78    81   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    55    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    57    58.35000  112.70000
   50    55    82    58.35000  112.70000
   50    55    56    37.50000  110.70000
   50    55    58    70.00000  112.02700
   52    50    51    37.50000  110.70000
   52    57    59    63.00000  111.10000
   52    57    75    50.00000  109.50000
   52    57    66    58.35000  112.70000
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    59    60    80.00000  120.40000
   57    59    70    65.00000  118.62400
   57    75    73    90.00000  111.18400
   57    66    67    37.50000  110.70000
   57    66    68    37.50000  110.70000
   57    66    69    37.50000  110.70000
   59    70    71    40.00000  117.72500
   59    70    73    65.00000  118.96000
   70    59    60    80.00000  123.72100
   70    73    74    70.00000  123.01800
   70    73    75    80.00000  120.01400
   73    70    71    35.00000  120.00000
   73    74    76    70.00000  123.01800
   73    74    78    70.00000  124.00000
   74    76    77    35.00000  120.00000
   74    76    82    70.00000  124.00000
   74    78    79    85.00000  110.90400
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   76    82    83    35.00000  109.50000
   76    82    55    70.00000  112.02700
   76    82    72    85.00000  110.90400
   82    76    77    35.00000  117.00000
   82    55    56    37.50000  110.70000
   82    55    58    70.00000  112.02700
   82    72    61    83.00000  116.90000
   55    50    51    37.50000  110.70000
   55    50    52    58.35000  112.70000
   55    82    83    37.50000  110.70000
   55    58    61    65.00000  116.34900
   55    58    63    70.00000  124.00000
   58    55    56    35.00000  109.50000
   58    61    62    80.00000  123.72100
   58    61    72    90.00000  111.29400
   58    63    64    35.00000  120.00000
   58    63    65    35.00000  120.00000
   72    82    83    35.00000  109.50000
   72    82    55    50.00000  109.50000
   72    61    62    83.00000  123.40000
   63    58    61    65.00000  118.96000
   65    63    64    35.00000  117.00000
   78    74    76    70.00000  124.00000
   80    78    79    45.00000  125.66300
   81    78    79    45.00000  125.66300
   81    78    80    33.00000  107.80000
   75    57    59    90.00000  108.74100
   75    73    74    80.00000  120.01400
   66    57    59    63.00000  111.10000
   66    57    75    50.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51   0.08050  1.0 3.0
   43    49    50    52  -0.46850  1.0 1.0
   43    49    50    52   0.09300 -1.0 2.0
   43    49    50    52  -0.12850  1.0 3.0
   43    49    50    55  -0.46850  1.0 1.0
   43    49    50    55   0.09300 -1.0 2.0
   43    49    50    55  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    54   0.23400  1.0 3.0
   49    50    52    57   0.62750  1.0 1.0
   49    50    52    57  -0.30950 -1.0 2.0
   49    50    52    57   0.27300  1.0 3.0
   49    50    55    82   0.62750  1.0 1.0
   49    50    55    82  -0.30950 -1.0 2.0
   49    50    55    82   0.27300  1.0 3.0
   49    50    55    56   0.23400  1.0 3.0
   49    50    55    58   0.61850  1.0 1.0
   49    50    55    58  -0.22750 -1.0 2.0
   49    50    55    58   0.15300  1.0 3.0
   50    52    57    59  -0.95700  1.0 1.0
   50    52    57    59  -0.18200 -1.0 2.0
   50    52    57    59   0.29450  1.0 3.0
   50    52    57    75   0.62750  1.0 1.0
   50    52    57    75  -0.30950 -1.0 2.0
   50    52    57    75   0.27300  1.0 3.0
   50    52    57    66   0.56750  1.0 1.0
   50    52    57    66  -0.07550 -1.0 2.0
   50    52    57    66   0.20000  1.0 3.0
   50    55    58    61   0.09700  1.0 1.0
   50    55    58    61   0.15600 -1.0 2.0
   50    55    58    61  -0.50800  1.0 3.0
   50    55    58    63   0.09850  1.0 1.0
   50    55    58    63   0.15250 -1.0 2.0
   50    55    58    63  -0.50650  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    57   0.15000  1.0 3.0
   51    50    55    82   0.15000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    58   0.15000  1.0 3.0
   52    50    55    82   0.56750  1.0 1.0
   52    50    55    82  -0.07550 -1.0 2.0
   52    50    55    82   0.20000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    58   0.34400  1.0 1.0
   52    50    55    58   0.09450 -1.0 2.0
   52    50    55    58   0.11100  1.0 3.0
   52    57    59    60   0.30150 -1.0 2.0
   52    57    59    70   0.65300  1.0 1.0
   52    57    59    70  -0.03850 -1.0 2.0
   52    57    59    70   0.33900  1.0 3.0
   52    57    75    73  -0.46850  1.0 1.0
   52    57    75    73   0.09300 -1.0 2.0
   52    57    75    73  -0.12850  1.0 3.0
   52    57    66    67   0.15000  1.0 3.0
   52    57    66    68   0.15000  1.0 3.0
   52    57    66    69   0.15000  1.0 3.0
   53    52    57    59  -0.11250  1.0 3.0
   53    52    57    75   0.23400  1.0 3.0
   53    52    57    66   0.15000  1.0 3.0
   54    52    57    59  -0.11250  1.0 3.0
   54    52    57    75   0.23400  1.0 3.0
   54    52    57    66   0.15000  1.0 3.0
   57    59    70    71   0.04550  1.0 1.0
   57    59    70    71   0.83000 -1.0 2.0
   57    59    70    71  -0.04000  1.0 3.0
   57    59   -70    73  -0.33500  1.0 1.0
   57    59   -70    73   1.06600 -1.0 2.0
   57    59   -70    73  -0.14000  1.0 3.0
   59    57   -75    73  -0.48150  1.0 1.0
   59    57   -75    73   0.09250 -1.0 2.0
   59    57   -75    73  -0.12850  1.0 3.0
   59    57    66    67  -0.11250  1.0 3.0
   59    57    66    68  -0.11250  1.0 3.0
   59    57    66    69  -0.11250  1.0 3.0
   59    70    73    74   7.00000 -1.0 2.0
   59    70   -73    75   7.00000 -1.0 2.0
   60    59    70    71   0.00000  1.0 1.0
   60    59    70    73   1.00000 -1.0 2.0
   70    73    74    76   0.28850  1.0 1.0
   70    73    74    76   2.61350 -1.0 2.0
   70    73    74    76   0.78400  1.0 3.0
   70    73    74    78  -0.18600  1.0 3.0
   70    73   -75    57  -2.26850  1.0 1.0
   70    73   -75    57   3.39050 -1.0 2.0
   71    70    73    74   7.00000 -1.0 2.0
   71    70    73    75   7.00000 -1.0 2.0
   73    74    76    77   7.00000 -1.0 2.0
   73    74    76    82   7.00000 -1.0 2.0
   73    74    78    79   0.39000  1.0 1.0
   73    74    78    79  -0.05800 -1.0 2.0
   73    74    78    79  -0.55150  1.0 3.0
   73    74    78    80   0.00000  1.0 1.0
   73    74    78    81   0.00000  1.0 1.0
   74    73    75    57  -2.26850  1.0 1.0
   74    73    75    57   3.39050 -1.0 2.0
   74    76    82    83   0.00000  1.0 1.0
   74    76    82    55   0.09850  1.0 1.0
   74    76    82    55   0.15250 -1.0 2.0
   74    76    82    55  -0.50650  1.0 3.0
   74    76    82    72   0.39000  1.0 1.0
   74    76    82    72  -0.05800 -1.0 2.0
   74    76    82    72  -0.55150  1.0 3.0
   76    74    78    79   0.39000  1.0 1.0
   76    74    78    79  -0.05800 -1.0 2.0
   76    74    78    79  -0.55150  1.0 3.0
   76    74    78    80   0.00000  1.0 1.0
   76    74    78    81   0.00000  1.0 1.0
   76    82    55    50   0.34400  1.0 1.0
   76    82    55    50   0.09450 -1.0 2.0
   76    82    55    50   0.11100  1.0 3.0
   76    82    55    56   0.15000  1.0 3.0
   76    82    55    58   0.31000  1.0 1.0
   76    82    55    58   0.14700 -1.0 2.0
   76    82    55    58   0.07550  1.0 3.0
   76    82    72    61  -0.82050  1.0 1.0
   76    82    72    61   0.00600 -1.0 2.0
   76    82    72    61   0.04400  1.0 3.0
   77    76    82    83   0.33100  1.0 3.0
   77    76    82    55   0.00000  1.0 1.0
   77    76    82    72   0.00000  1.0 1.0
   82    55   -58    61   0.09700  1.0 1.0
   82    55   -58    61   0.15600 -1.0 2.0
   82    55   -58    61  -0.50800  1.0 3.0
   82    55    58    63   0.09850  1.0 1.0
   82    55    58    63   0.15250 -1.0 2.0
   82    55    58    63  -0.50650  1.0 3.0
   83    82    55    50   0.15000  1.0 3.0
   83    82    55    56   0.15000  1.0 3.0
   83    82    55    58   0.15000  1.0 3.0
   83    82    72    61   0.08050  1.0 3.0
   55    50    52    53   0.15000  1.0 3.0
   55    50    52    54   0.15000  1.0 3.0
   55    50    52    57   0.56750  1.0 1.0
   55    50    52    57  -0.07550 -1.0 2.0
   55    50    52    57   0.20000  1.0 3.0
   55    82   -72    61  -0.25900  1.0 1.0
   55    82   -72    61  -0.47000 -1.0 2.0
   55    82   -72    61   0.11750  1.0 3.0
   55    58    61    62  -0.64400  1.0 1.0
   55    58    61    62   0.26850 -1.0 2.0
   55    58   -61    72  -0.15000  1.0 1.0
   55    58   -61    72   0.89550 -1.0 2.0
   55    58   -61    72  -0.06900  1.0 3.0
   55    58    63    64   7.00000 -1.0 2.0
   55    58    63    65   7.00000 -1.0 2.0
   56    55    58    61   0.15000  1.0 3.0
   56    55    58    63   0.00000  1.0 1.0
   58    61   -72    82   2.00000 -1.0 2.0
   61    58    63    64   7.00000 -1.0 2.0
   61    58    63    65   7.00000 -1.0 2.0
   62    61    72    82   3.00000 -1.0 2.0
   72    82    55    50   0.62750  1.0 1.0
   72    82    55    50  -0.30950 -1.0 2.0
   72    82    55    50   0.27300  1.0 3.0
   72    82    55    56   0.23400  1.0 3.0
   72    82   -55    58   0.61850  1.0 1.0
   72    82   -55    58  -0.22750 -1.0 2.0
   72    82   -55    58   0.15300  1.0 3.0
   63    58    61    62   1.00000 -1.0 2.0
   63    58    61    72  -0.56150  1.0 1.0
   63    58    61    72   2.19150 -1.0 2.0
   78    74    76    77   7.00000 -1.0 2.0
   78    74    76    82   7.00000 -1.0 2.0
   75    57    59    60   0.30150 -1.0 2.0
   75    57   -59    70   0.65300  1.0 1.0
   75    57   -59    70  -0.03850 -1.0 2.0
   75    57   -59    70   0.33900  1.0 3.0
   75    57    66    67   0.23400  1.0 3.0
   75    57    66    68   0.23400  1.0 3.0
   75    57    66    69   0.23400  1.0 3.0
   75    73    74    76  -0.51250  1.0 1.0
   75    73    74    76   1.23350 -1.0 2.0
   75    73    74    78   1.08500 -1.0 2.0
   66    57    59    60   0.30150 -1.0 2.0
   66    57    59    70   0.65300  1.0 1.0
   66    57    59    70  -0.03850 -1.0 2.0
   66    57    59    70   0.33900  1.0 3.0
   66    57    75    73  -0.46850  1.0 1.0
   66    57    75    73   0.09300 -1.0 2.0
   66    57    75    73  -0.12850  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   57    70    59    60  10.50000 -1.0 2.0
   59    71    70    73   1.10000 -1.0 2.0
   74    75    73    70   1.10000 -1.0 2.0
   73    78    74    76   1.10000 -1.0 2.0
   82    77    76    74   1.10000 -1.0 2.0
   55    61    58    63   1.10000 -1.0 2.0
   58    72    61    62  10.50000 -1.0 2.0
   64    65    63    58   1.10000 -1.0 2.0
END
