* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    159    246     462
    1     0 S   NP   _N1_     1    30.68393    98.78311   -26.56555
    2     1 S   H    _HN1     2     1.02853    69.71926   -51.59125
    3     1 S   H    _H1_     3     1.02756    59.49421  -177.49392
    4     1 S   H    _H2_     4     1.03479   163.58035  -137.20873
    5     1 S   CT   _CA1     5     1.50056    83.65681    63.49342
    6     5 S   HC   _HA1     6     1.09552   104.89174   113.58323
    7     5 S   CO3  _C1_     7     1.53667   113.31823    -7.02543
    8     7 S   O2Z  _O11     8     1.26386   115.10308   -33.62996
    9     7 S   O2Z  _O12     9     1.26247   115.00063   145.73194
   10     5 S   CT   _CB1    10     1.53031   107.45261  -128.03135
   11    10 S   HC   HB11    11     1.09565   109.44731   -40.48799
   12    10 S   HC   HB12    12     1.09836   110.38149    75.10324
   13    10 S   CT   _CG1    13     1.53247   112.96933  -163.14584
   14    13 S   HC   HG11    14     1.09555   110.84835   -96.80524
   15    13 S   HC   HG12    15     1.09608   111.65241    22.43382
   16    13 S   C    _CD1    16     1.51532   109.44109   143.19425
   17    16 S   O    _OE1    17     1.22794   121.81976    86.29605
   18    16 S   N    _N2_    18     1.38571   112.48637   -90.40495
   19    18 S   H    _HN2    19     1.01565   119.16237    -4.11233
   20    18 S   CT1  _CA2    20     1.46223   123.59297   173.88618
   21    20 S   HC   _HA2    21     1.09713   109.23147    -8.81176
   22    20 S   C    _C2_    22     1.53847   108.82210  -124.52336
   23    22 S   O    _O2_    23     1.23076   122.14610  -156.30487
   24    20 S   CT   _CB2    32     1.53448   111.69679   113.58759
   25    24 S   HC   HB21    33     1.09474   109.54351    56.89273
   26    24 S   HC   HB22    34     1.09497   109.95336   175.49767
   27    22 S   N    _N3_    24     1.38357   114.03259    30.46842
   28    27 S   H    _HN3    25     1.01441   119.09566    -1.94491
   29    24 S   S    _SG2    35     1.82819   111.74788   -64.91463
   30    27 S   CT   _CA3    26     1.45333   123.39662   178.11830
   31    30 S   HC   HA31    27     1.09551   107.18013   -70.87398
   32    30 S   HC   HA32    28     1.09555   108.26925    45.49730
   33    29 S   CT   _C16    36     1.93145   100.69013   170.06522
   34    30 S   CO3  _C3_    29     1.53032   114.37731   167.59584
   35    34 S   O2Z  _O31    30     1.26435   116.31470    -6.80181
   36    34 S   O2Z  _O32    31     1.26405   114.44774   173.34922
   37    33 S   CM   _C15    37     1.52193   102.65743   -81.94179
   38    37 S   HC   _H8_    38     1.09039   115.27947    62.30034
   39    33 S   CT   _C17    76     1.58560   112.66901   156.67512
   40    39 S   OM   _O37    77     1.32988   110.76097   -40.91729
   41    39 S   HC   _H3_    78     1.09642   105.63677  -166.33472
   42    33 S   OS   _O38    83     1.44420   106.89122    33.43896
   43    37 S   CMA  _C14    39     1.35282   127.91577  -115.31016
   44    43 S   OM   _O39    40     1.26817   127.42566   173.60524
   45    42 S   CT   _C20    84     1.41979   117.19908  -177.88604
   46    45 S   HC   _H10    85     1.09395   107.73117   164.80542
   47    45 S   HC   _H11    86     1.09280   112.33514    45.95073
   48    45 S   HC   _H12    87     1.09297   110.68520   -78.18128
   49    43 S   CT   _C13    41     1.58522   119.27223    -3.71468
   50    49 S   CMA  _C12    42     1.59857   115.27992   -96.22695
   51    50 S   OM   _O34    43     1.26624   112.99009   -25.62294
   52    49 S   OH   _O40    81     1.45120   109.45979   144.89739
   53    52 S   HO   _H13    82     0.97401   105.16345    32.93284
   54    50 S   CM   _C10    44     1.36279   117.92680   155.72378
   55    54 S   CM   _C9_    45     1.44822   123.13165     2.58702
   56    54 S   CO4  _C11    55     1.51360   120.20709  -177.39090
   57    56 S   O    _O33    56     1.22520   122.66654    28.16361
   58    55 S   CM   _C8_    46     1.34027   122.29647   166.91450
   59    58 S   HC   _H7_    47     1.08599   121.62379   179.42529
   60    55 S   CO4  _C19    73     1.48953   119.96895   -13.40234
   61    60 S   O    _O35    74     1.23168   121.26580   167.73846
   62    58 S   CA   _C7_    48     1.46605   120.97868    -2.78284
   63    49 S   CT   _C18    75     1.57523   108.69787    29.09088
   64    62 S   CA   _C21    49     1.40356   118.48624  -172.41289
   65    64 S   HA   _H14    50     1.08685   118.48911    -0.64011
   66    63 S   OH   _O36    79     1.43593   109.33904    64.91396
   67    66 S   HO   _H9_    80     0.97376   105.95195  -167.35134
   68    64 S   CA   _C22    51     1.39401   120.76666   179.76677
   69    68 S   CA   _C23    52     1.40558   118.62189    -1.38353
   70    68 S   OS   _O43    68     1.37131   124.76567   178.48032
   71    69 S   CA   _C5_    53     1.41358   122.20524     0.64982
   72    69 S   CO4  _C24    61     1.47300   117.92497   179.03328
   73    72 S   O    _O41    62     1.21843   123.75988  -103.90609
   74    70 S   CT   _C26    69     1.42230   117.50852     0.13417
   75    74 S   HC   _H18    70     1.09428   107.72756  -179.88131
   76    74 S   HC   _H19    71     1.09492   111.12608    62.42141
   77    74 S   HC   _H20    72     1.09493   111.14738   -62.16594
   78    62 S   CA   _C6_    54     1.40743   121.30195     7.61626
   79    71 S   CT   _C4_    57     1.50843   120.32318  -178.61167
   80    79 S   HC   _H4_    58     1.09426   110.19950  -101.16543
   81    79 S   HC   _H5_    59     1.09393   112.67593    19.56506
   82    79 S   HC   _H6_    60     1.09498   110.76140   136.86258
   83    72 S   OS   _O42    63     1.35600   107.64729    77.41016
   84    83 S   CT   _C25    64     1.42982   114.81737   179.43248
   85    84 S   HC   _H15    65     1.09327   108.12997   179.51463
   86    84 S   HC   _H16    66     1.09431   110.31607    60.79433
   87    84 S   HC   _H17    67     1.09429   110.27233   -61.77496
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   2   1   1  12   5  14   6   5   6  10   4   3   2   1   1
  12  12   5   5   1  11  11   9   3  10   4   5   2   8   2   8
   4   1   1  12  12   6   8   8   2   3   2   1   1   4   3   2
   1   1   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    63    39    40    41    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    49    60    63    39    40    41    66    42    45    46    47    48  
   35    36  
   36  
    0  
   38    43    44    49    50    63    39    40    41    52    42    45  
   43    44    49    39    42  
   40    41    66    67    52    42    45    43    49    50    55    60    61    63  
   41    66    42    49    60    63  
   66    42    49    60    63  
   45    46    47    48    43    63  
   44    49    50    51    54    60    63    66    52    53  
   49    50    63    52  
   46    47    48  
   47    48  
   48  
    0  
   50    51    54    55    56    60    61    63    66    67    52    53  
   51    54    55    58    78    56    57    60    63    66    52    53  
   54    55    56    63    52  
   53    54    60    63    66  
   63  
   55    58    59    62    71    78    56    57    60    61    63  
   58    59    62    64    78    56    57    60    61    63    66  
   57    79    60    58    62    64    69    71    78  
   62    71    78  
   59    62    64    65    68    71    78    60    61    63  
   62    64    78    60  
   61    63    66    67    62  
   63    66  
   64    65    68    69    71    78    79    70  
   66    67  
   65    68    69    71    78    72    70    74  
   68    69    78    70  
   67  
    0  
   69    71    78    79    72    73    83    70    74    75    76    77  
   71    78    79    80    81    82    72    73    83    84    70    74  
   74    75    76    77    71    72  
   78    79    80    81    82    72    73    83  
   73    83    84    85    86    87    78    79  
   83    84  
   75    76    77  
   76    77  
   77  
    0  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    0  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   51   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   84   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   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    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    39   268.000  1.529
   33    42   320.000  1.410
   37    38   340.000  1.080
   37    43   465.000  1.376
   43    44   745.000  1.250
   43    49   270.000  1.512
   49    50   270.000  1.512
   49    63   268.000  1.529
   49    52   320.000  1.410
   50    51   745.000  1.250
   50    54   465.000  1.376
   54    55   380.000  1.444
   54    56   320.000  1.462
   55    58   549.000  1.340
   55    60   320.000  1.462
   58    59   340.000  1.080
   58    62   320.000  1.460
   62    64   469.000  1.400
   62    78   469.000  1.400
   64    65   367.000  1.080
   64    68   469.000  1.400
   68    69   469.000  1.400
   68    70   450.000  1.364
   69    71   469.000  1.400
   69    72   310.000  1.470
   71    78   469.000  1.400
   71    79   317.000  1.510
   78    56   310.000  1.470
   56    57   570.000  1.229
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   72    73   570.000  1.229
   72    83   214.000  1.327
   83    84   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   70    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   60    61   570.000  1.229
   60    63   317.000  1.522
   63    39   268.000  1.529
   63    66   320.000  1.410
   39    40   570.000  1.307
   39    41   340.000  1.090
   66    67   553.000  0.945
   52    53   553.000  0.945
   42    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    39    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    43    70.00000  124.00000
   33    39    63    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    42    45    60.00000  109.50000
   37    43    44    65.00000  137.10300
   37    43    49    65.00000  122.18000
   43    37    38    40.00000  120.50800
   43    49    50    70.00000  110.12100
   43    49    63    70.00000  112.02700
   43    49    52    90.00000  110.39200
   49    43    44    85.00000  112.85300
   49    50    51    85.00000  112.85300
   49    50    54    65.00000  122.18000
   49    63    60    63.00000  111.10000
   49    63    39    58.35000  112.70000
   49    63    66    50.00000  109.50000
   49    52    53    55.00000  108.50000
   50    54    55    70.00000  117.34000
   50    54    56    60.00000  125.92000
   54    50    51    65.00000  137.10300
   54    55    58    70.00000  123.01800
   54    55    60    65.00000  118.96000
   54    56    78    65.00000  117.02400
   54    56    57    80.00000  123.72100
   55    58    59    35.00000  120.00000
   55    58    62    60.00000  123.20500
   55    60    61    80.00000  123.72100
   55    60    63    65.00000  118.62400
   58    62    64    60.00000  120.93500
   58    62    78    60.00000  120.93500
   62    58    59    40.00000  117.26300
   62    64    65    35.00000  120.00000
   62    64    68    63.00000  120.00000
   62    78    71    63.00000  120.00000
   62    78    56    60.00000  119.52600
   64    68    69    63.00000  120.00000
   64    68    70    70.00000  120.00000
   68    64    65    35.00000  120.00000
   68    69    71    63.00000  120.00000
   68    69    72    60.00000  119.52600
   68    70    74    75.00000  111.00000
   69    71    78    63.00000  120.00000
   69    71    79    70.00000  120.00000
   69    72    73    75.00000  123.78400
   69    72    83    81.00000  111.40000
   71    78    56    60.00000  119.52600
   71    79    80    35.00000  109.50000
   71    79    81    35.00000  109.50000
   71    79    82    35.00000  109.50000
   78    62    64    63.00000  120.00000
   78    56    57    75.00000  123.78400
   56    54    55    65.00000  118.96000
   79    71    78    70.00000  120.00000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   72    69    71    60.00000  119.52600
   72    83    84    83.00000  116.90000
   83    72    73    83.00000  123.40000
   83    84    85    35.00000  109.50000
   83    84    86    35.00000  109.50000
   83    84    87    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   70    68    69    70.00000  120.00000
   70    74    75    35.00000  109.50000
   70    74    76    35.00000  109.50000
   70    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   60    55    58    65.00000  118.96000
   60    63    39    63.00000  111.10000
   60    63    66    90.00000  109.61100
   63    49    50    70.00000  112.02700
   63    60    61    80.00000  120.40000
   63    39    40    50.00000  109.50000
   63    39    41    37.50000  110.70000
   63    66    67    55.00000  108.50000
   39    33    37    70.00000  112.02700
   41    39    40    45.00000  125.66300
   66    63    39    50.00000  109.50000
   52    49    50    90.00000  110.39200
   52    49    63    50.00000  109.50000
   42    33    37    85.00000  110.90400
   42    33    39    50.00000  109.50000
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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    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
   24    29    33    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   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    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    39    63   0.44750  1.0 1.0
   29    33    39    63  -0.17800 -1.0 2.0
   29    33    39    63   0.20200  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    42    45   0.14700  1.0 1.0
   29    33    42    45  -1.16150 -1.0 2.0
   29    33    42    45   0.48700  1.0 3.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    49   7.00000 -1.0 2.0
   33    42    45    46   0.37050  1.0 3.0
   33    42    45    47   0.37050  1.0 3.0
   33    42    45    48   0.37050  1.0 3.0
   37    33    39    63   0.34400  1.0 1.0
   37    33    39    63   0.09450 -1.0 2.0
   37    33    39    63   0.11100  1.0 3.0
   37    33    39    40   0.61850  1.0 1.0
   37    33    39    40  -0.22750 -1.0 2.0
   37    33    39    40   0.15300  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    42    45  -0.77900  1.0 1.0
   37    33    42    45  -0.36900 -1.0 2.0
   37    33    42    45   0.40400  1.0 3.0
   37    43    49    50  -0.28300  1.0 1.0
   37    43    49    50   0.26700 -1.0 2.0
   37    43    49    50  -0.63300  1.0 3.0
   37    43   -49    63   0.09850  1.0 1.0
   37    43   -49    63   0.15250 -1.0 2.0
   37    43   -49    63  -0.50650  1.0 3.0
   37    43    49    52   0.67800  1.0 1.0
   37    43    49    52   0.47050 -1.0 2.0
   37    43    49    52  -0.62500  1.0 3.0
   38    37    43    44   7.00000 -1.0 2.0
   38    37    43    49   7.00000 -1.0 2.0
   43    49    50    51   0.09700  1.0 1.0
   43    49    50    51   0.15600 -1.0 2.0
   43    49    50    51  -0.50800  1.0 3.0
   43    49    50    54  -0.28300  1.0 1.0
   43    49    50    54   0.26700 -1.0 2.0
   43    49    50    54  -0.63300  1.0 3.0
   43    49    63    60  -0.98800  1.0 1.0
   43    49    63    60   0.48800 -1.0 2.0
   43    49    63    60   0.76800  1.0 3.0
   43    49    63    39   0.34400  1.0 1.0
   43    49    63    39   0.09450 -1.0 2.0
   43    49    63    39   0.11100  1.0 3.0
   43    49    63    66   1.05650  1.0 1.0
   43    49    63    66   0.15600 -1.0 2.0
   43    49    63    66   0.53150  1.0 3.0
   43    49    52    53  -0.07800  1.0 1.0
   43    49    52    53  -0.21500 -1.0 2.0
   43    49    52    53  -0.03150  1.0 3.0
   44    43    49    50   0.09700  1.0 1.0
   44    43    49    50   0.15600 -1.0 2.0
   44    43    49    50  -0.50800  1.0 3.0
   44    43    49    63   0.09700  1.0 1.0
   44    43    49    63   0.15600 -1.0 2.0
   44    43    49    63  -0.50800  1.0 3.0
   44    43    49    52   0.09700  1.0 1.0
   44    43    49    52   0.15600 -1.0 2.0
   44    43    49    52  -0.50800  1.0 3.0
   49    50    54    55   7.00000 -1.0 2.0
   49    50    54    56   7.00000 -1.0 2.0
   49    63   -39    33   0.56750  1.0 1.0
   49    63   -39    33  -0.07550 -1.0 2.0
   49    63   -39    33   0.20000  1.0 3.0
   49    63    39    40   0.62750  1.0 1.0
   49    63    39    40  -0.30950 -1.0 2.0
   49    63    39    40   0.27300  1.0 3.0
   49    63    39    41   0.15000  1.0 3.0
   49    63    66    67  -0.11600  1.0 1.0
   49    63    66    67  -0.09450 -1.0 2.0
   49    63    66    67   0.21250  1.0 3.0
   50    49    63    60  -0.98800  1.0 1.0
   50    49    63    60   0.48800 -1.0 2.0
   50    49    63    60   0.76800  1.0 3.0
   50    49    63    39   0.34400  1.0 1.0
   50    49    63    39   0.09450 -1.0 2.0
   50    49    63    39   0.11100  1.0 3.0
   50    49    63    66   1.05650  1.0 1.0
   50    49    63    66   0.15600 -1.0 2.0
   50    49    63    66   0.53150  1.0 3.0
   50    49    52    53  -0.07800  1.0 1.0
   50    49    52    53  -0.21500 -1.0 2.0
   50    49    52    53  -0.03150  1.0 3.0
   50    54    55    58   0.28850  1.0 1.0
   50    54    55    58   2.61350 -1.0 2.0
   50    54    55    58   0.78400  1.0 3.0
   50    54   -55    60  -0.18600  1.0 3.0
   50    54    56    78  -1.65800  1.0 1.0
   50    54    56    78   0.77650 -1.0 2.0
   50    54    56    57   1.00000 -1.0 2.0
   51    50    54    55   7.00000 -1.0 2.0
   51    50    54    56   7.00000 -1.0 2.0
   54    55    58    59   7.00000 -1.0 2.0
   54    55    58    62   7.00000 -1.0 2.0
   54    55    60    61   1.00000 -1.0 2.0
   54    55    60    63  -0.33500  1.0 1.0
   54    55    60    63   1.06600 -1.0 2.0
   54    55    60    63  -0.14000  1.0 3.0
   55    54    56    78  -1.65800  1.0 1.0
   55    54    56    78   0.77650 -1.0 2.0
   55    54    56    57   1.00000 -1.0 2.0
   55    58    62    64   0.15800  1.0 1.0
   55    58    62    64   1.85350 -1.0 2.0
   55    58    62    64  -0.48700  1.0 3.0
   55    58   -62    78   0.15800  1.0 1.0
   55    58   -62    78   1.85350 -1.0 2.0
   55    58   -62    78  -0.48700  1.0 3.0
   55    60   -63    49   0.65300  1.0 1.0
   55    60   -63    49  -0.03850 -1.0 2.0
   55    60   -63    49   0.33900  1.0 3.0
   55    60    63    39   0.65300  1.0 1.0
   55    60    63    39  -0.03850 -1.0 2.0
   55    60    63    39   0.33900  1.0 3.0
   55    60    63    66   0.65300  1.0 1.0
   55    60    63    66  -0.03850 -1.0 2.0
   55    60    63    66   0.33900  1.0 3.0
   58    55    60    61   1.00000 -1.0 2.0
   58    55    60    63  -0.33500  1.0 1.0
   58    55    60    63   1.06600 -1.0 2.0
   58    55    60    63  -0.14000  1.0 3.0
   58    62    64    65   3.62500 -1.0 2.0
   58    62    64    68   3.62500 -1.0 2.0
   58    62    78    71   3.62500 -1.0 2.0
   58    62    78    56   3.62500 -1.0 2.0
   59    58    62    64   0.56550  1.0 3.0
   59    58    62    78   0.56550  1.0 3.0
   62    64    68    69   3.62500 -1.0 2.0
   62    64    68    70   3.62500 -1.0 2.0
   62    78   -56    54  -0.11500  1.0 1.0
   62    78   -56    54   1.10450 -1.0 2.0
   62    78   -56    54  -0.48050  1.0 3.0
   62    78    56    57   1.05000 -1.0 2.0
   64    62    78    71   3.62500 -1.0 2.0
   64    62    78    56   3.62500 -1.0 2.0
   64    68   -69    71   3.62500 -1.0 2.0
   64    68    69    72   3.62500 -1.0 2.0
   64    68    70    74   1.63200 -1.0 2.0
   65    64    68    69   3.62500 -1.0 2.0
   65    64    68    70   3.62500 -1.0 2.0
   68    69    71    78   3.62500 -1.0 2.0
   68    69    71    79   3.62500 -1.0 2.0
   68    69    72    73   1.05000 -1.0 2.0
   68    69    72    83   0.98750 -1.0 2.0
   68    70    74    75   0.08050  1.0 3.0
   68    70    74    76   0.08050  1.0 3.0
   68    70    74    77   0.08050  1.0 3.0
   69    68    70    74   1.63200 -1.0 2.0
   69    71   -78    62   3.62500 -1.0 2.0
   69    71    78    56   3.62500 -1.0 2.0
   69    71    79    80   0.00000  1.0 1.0
   69    71    79    81   0.00000  1.0 1.0
   69    71    79    82   0.00000  1.0 1.0
   69    72    83    84   0.59950  1.0 1.0
   69    72    83    84   3.24850 -1.0 2.0
   71    69    72    73   1.05000 -1.0 2.0
   71    69    72    83   0.98750 -1.0 2.0
   71    78    56    54  -0.11500  1.0 1.0
   71    78    56    54   1.10450 -1.0 2.0
   71    78    56    54  -0.48050  1.0 3.0
   71    78    56    57   1.05000 -1.0 2.0
   78    62    64    65   3.62500 -1.0 2.0
   78    62   -64    68   3.62500 -1.0 2.0
   78    71    79    80   0.00000  1.0 1.0
   78    71    79    81   0.00000  1.0 1.0
   78    71    79    82   0.00000  1.0 1.0
   56    54   -55    58  -0.18600  1.0 3.0
   56    54    55    60   1.08500 -1.0 2.0
   79    71    78    62   3.62500 -1.0 2.0
   79    71    78    56   3.62500 -1.0 2.0
   72    69    71    78   3.62500 -1.0 2.0
   72    69    71    79   3.62500 -1.0 2.0
   72    83    84    85   0.08050  1.0 3.0
   72    83    84    86   0.08050  1.0 3.0
   72    83    84    87   0.08050  1.0 3.0
   73    72    83    84   3.00000 -1.0 2.0
   70    68    69    71   3.62500 -1.0 2.0
   70    68    69    72   3.62500 -1.0 2.0
   60    55    58    59   7.00000 -1.0 2.0
   60    55    58    62   7.00000 -1.0 2.0
   60    63    39    33  -0.95700  1.0 1.0
   60    63    39    33  -0.18200 -1.0 2.0
   60    63    39    33   0.29450  1.0 3.0
   60    63    39    40  -0.09450  1.0 1.0
   60    63    39    40  -1.12950 -1.0 2.0
   60    63    39    40   0.54000  1.0 3.0
   60    63    39    41  -0.11250  1.0 3.0
   60    63    66    67   0.91850  1.0 1.0
   60    63    66    67   0.57950  1.0 3.0
   61    60    63    49   0.30150 -1.0 2.0
   61    60    63    39   0.30150 -1.0 2.0
   61    60    63    66   0.30150 -1.0 2.0
   63    49    50    51   0.09700  1.0 1.0
   63    49    50    51   0.15600 -1.0 2.0
   63    49    50    51  -0.50800  1.0 3.0
   63    49   -50    54   0.09850  1.0 1.0
   63    49   -50    54   0.15250 -1.0 2.0
   63    49   -50    54  -0.50650  1.0 3.0
   63    49    52    53  -0.11600  1.0 1.0
   63    49    52    53  -0.09450 -1.0 2.0
   63    49    52    53   0.21250  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33   -37    43   0.09850  1.0 1.0
   39    33   -37    43   0.15250 -1.0 2.0
   39    33   -37    43  -0.50650  1.0 3.0
   39    33    42    45   0.06250  1.0 1.0
   39    33    42    45  -0.01100 -1.0 2.0
   39    33    42    45   0.28050  1.0 3.0
   39    63    66    67  -0.11600  1.0 1.0
   39    63    66    67  -0.09450 -1.0 2.0
   39    63    66    67   0.21250  1.0 3.0
   66    63    39    33   0.86500  1.0 1.0
   66    63    39    33  -0.17500 -1.0 2.0
   66    63    39    33   0.20800  1.0 3.0
   66    63    39    40   3.69350  1.0 1.0
   66    63    39    40  -1.82950 -1.0 2.0
   66    63    39    41   0.23400  1.0 3.0
   52    49    50    51   0.09700  1.0 1.0
   52    49    50    51   0.15600 -1.0 2.0
   52    49    50    51  -0.50800  1.0 3.0
   52    49    50    54   0.67800  1.0 1.0
   52    49    50    54   0.47050 -1.0 2.0
   52    49    50    54  -0.62500  1.0 3.0
   52    49    63    60  -0.09450  1.0 1.0
   52    49    63    60  -1.12950 -1.0 2.0
   52    49    63    60   0.54000  1.0 3.0
   52    49    63    39   0.86500  1.0 1.0
   52    49    63    39  -0.17500 -1.0 2.0
   52    49    63    39   0.20800  1.0 3.0
   52    49    63    66   3.75450  1.0 1.0
   42    33    37    38   0.00000  1.0 1.0
   42    33    37    43   0.39000  1.0 1.0
   42    33    37    43  -0.05800 -1.0 2.0
   42    33    37    43  -0.55150  1.0 3.0
   42    33    39    63   0.62750  1.0 1.0
   42    33    39    63  -0.30950 -1.0 2.0
   42    33    39    63   0.27300  1.0 3.0
   42    33    39    40   1.11900  1.0 1.0
   42    33    39    40  -1.16350 -1.0 2.0
   42    33    39    40  -0.34150  1.0 3.0
   42    33    39    41   0.23400  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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    43   1.10000 -1.0 2.0
   49    44    43    37   1.10000 -1.0 2.0
   49    51    50    54   1.10000 -1.0 2.0
   55    56    54    50   1.10000 -1.0 2.0
   54    60    55    58   1.10000 -1.0 2.0
   62    59    58    55   1.10000 -1.0 2.0
   64    78    62    58   4.00000 -1.0 2.0
   68    65    64    62   1.10000 -1.0 2.0
   69    70    68    64   4.00000 -1.0 2.0
   71    72    69    68   4.00000 -1.0 2.0
   78    79    71    69   4.00000 -1.0 2.0
   71    56    78    62   4.00000 -1.0 2.0
   54    78    56    57  10.50000 -1.0 2.0
   69    83    72    73  10.50000 -1.0 2.0
   55    63    60    61  10.50000 -1.0 2.0
END
