* LIGAND DATABASE FILE (OPLS2005)
*
001      88    91    160    248     466
    1     0 S   NP   _N1_     1    30.60855    98.76599   -26.48049
    2     1 S   H    _HN1     2     1.02853    67.94852   -50.35660
    3     1 S   H    _H1_     3     1.02756    60.07195  -177.52267
    4     1 S   H    _H2_     4     1.03479   162.77390  -130.63227
    5     1 S   CT   _CA1     5     1.50056    84.94267    64.63481
    6     5 S   HC   _HA1     6     1.09553   104.89117   114.95257
    7     5 S   CO3  _C1_     7     1.53667   113.32145    -5.65038
    8     7 S   O2Z  _O11     8     1.26387   115.10409   -33.58970
    9     7 S   O2Z  _O12     9     1.26249   114.99831   145.77247
   10     5 S   CT   _CB1    10     1.53032   107.45426  -126.66627
   11    10 S   HC   HB11    11     1.09564   109.44405   -40.53380
   12    10 S   HC   HB12    12     1.09836   110.38108    75.05684
   13    10 S   CT   _CG1    13     1.53248   112.97144  -163.19075
   14    13 S   HC   HG11    14     1.09555   110.84891   -96.73257
   15    13 S   HC   HG12    15     1.09609   111.64949    22.50669
   16    13 S   C    _CD1    16     1.51533   109.44981   143.25491
   17    16 S   O    _OE1    17     1.22792   121.82709    86.49007
   18    16 S   N    _N2_    18     1.38574   112.47898   -90.23232
   19    18 S   H    _HN2    19     1.01565   119.14951    -4.01600
   20    18 S   CT1  _CA2    20     1.46222   123.59428   173.81407
   21    20 S   HC   _HA2    21     1.09714   109.22981    -9.26145
   22    20 S   C    _C2_    22     1.53846   108.76854  -124.95365
   23    22 S   O    _O2_    23     1.23073   122.16192  -155.94039
   24    20 S   CT   _CB2    32     1.53459   111.71867   113.15381
   25    24 S   HC   HB21    33     1.09472   109.55706    56.72454
   26    24 S   HC   HB22    34     1.09494   109.91758   175.35055
   27    22 S   N    _N3_    24     1.38363   114.00677    30.86255
   28    27 S   H    _HN3    25     1.01443   119.09601    -1.89878
   29    24 S   S    _SG2    35     1.82832   111.75817   -65.04449
   30    27 S   CT   _CA3    26     1.45332   123.39861   178.13177
   31    30 S   HC   HA31    27     1.09550   107.17680   -71.08486
   32    30 S   HC   HA32    28     1.09555   108.27766    45.29177
   33    29 S   CT   _C16    36     1.92232   100.77534   170.91654
   34    30 S   CO3  _C3_    29     1.53033   114.37331   167.39754
   35    34 S   O2Z  _O31    30     1.26435   116.31587    -6.65649
   36    34 S   O2Z  _O32    31     1.26405   114.44622   173.49386
   37    33 S   CM   _C15    37     1.52380   103.13307   -80.79412
   38    37 S   HC   _H9_    38     1.09043   115.38647    66.70690
   39    33 S   CT   _C17    77     1.58919   112.94549   157.85358
   40    39 S   OM   _O37    78     1.32863   110.57298   -43.55082
   41    39 S   HC   _H3_    79     1.09800   105.79264  -169.14997
   42    33 S   OS   _O38    84     1.44449   107.08387    34.43174
   43    37 S   CMA  _C14    39     1.35207   127.51927  -112.93679
   44    43 S   OM   _O39    40     1.26602   128.21995   178.00944
   45    42 S   CT   _C20    85     1.41938   117.32863  -179.55765
   46    45 S   HC   _H11    86     1.09389   107.79723   164.41182
   47    45 S   HC   _H12    87     1.09314   112.29936    45.42963
   48    45 S   HC   _H13    88     1.09312   110.57349   -78.51393
   49    43 S   CT   _C13    41     1.55131   118.82227    -1.56623
   50    49 S   CO4  _C12    42     1.54508   109.72001   -98.67618
   51    50 S   O    _O34    43     1.22930   123.53676   -11.71001
   52    49 S   OH   _O40    82     1.43829   111.29231   145.80436
   53    52 S   HO   _H14    83     0.97451   106.10503    30.84389
   54    50 S   CA   _C10    44     1.49049   118.04158   168.71832
   55    54 S   CA   _C9_    45     1.38847   119.27052   -16.26595
   56    54 S   CA   _C11    55     1.41461   121.83087   163.77929
   57    55 S   CA   _C8_    46     1.39742   119.77071   179.52687
   58    57 S   HA   _H7_    47     1.09022   119.11373   180.00000
   59    56 S   OH   _O33    56     1.37587   119.75357    -0.77278
   60    59 S   HO   _H8_    57     0.97327   109.85584     4.26595
   61    55 S   CO4  _C19    74     1.48116   121.83931    -0.25564
   62    61 S   O    _O35    75     1.23011   119.21099   166.62471
   63    57 S   CA   _C7_    48     1.40304   121.79794     0.44937
   64    49 S   CT   _C18    76     1.54984   112.96047    23.79484
   65    63 S   CA   _C21    49     1.40539   118.01973   179.88986
   66    65 S   HA   _H15    50     1.08795   118.26635    -0.02798
   67    64 S   OH   _O36    80     1.43456   108.62888    69.38102
   68    67 S   HO   _H10    81     0.97411   106.05572  -167.12804
   69    65 S   CA   _C22    51     1.39066   121.63585   179.90309
   70    69 S   CA   _C23    52     1.39812   118.22233    -0.00000
   71    69 S   OS   _O43    69     1.37042   124.99532  -179.89532
   72    70 S   CA   _C5_    53     1.41605   122.11318     0.50202
   73    70 S   CO4  _C24    62     1.47177   117.28930   179.63309
   74    73 S   O    _O41    63     1.21815   123.89777   -88.33354
   75    71 S   CT   _C26    70     1.42229   117.55056    -0.28871
   76    75 S   HC   _H19    71     1.09428   107.72993  -179.84051
   77    75 S   HC   _H20    72     1.09493   111.12880    62.45733
   78    75 S   HC   _H21    73     1.09494   111.14277   -62.12832
   79    63 S   CA   _C6_    54     1.41920   120.70759    -0.05234
   80    72 S   CT   _C4_    58     1.51301   119.39775   179.20181
   81    80 S   HC   _H4_    59     1.09475   110.20526  -120.55477
   82    80 S   HC   _H5_    60     1.09294   113.61870    -1.92844
   83    80 S   HC   _H6_    61     1.09467   110.16860   117.15565
   84    73 S   OS   _O42    64     1.35580   107.34157    91.73430
   85    84 S   CT   _C25    65     1.42982   114.77969  -179.87805
   86    85 S   HC   _H16    66     1.09327   108.13104   179.85065
   87    85 S   HC   _H17    67     1.09430   110.30516    61.12750
   88    85 S   HC   _H18    68     1.09430   110.28331   -61.43911
  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  12  11  10  10   4   4   1   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    64    39    40    41    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    49    61    64    39    40    41    67    42    45    46    47    48  
   35    36  
   36  
    0  
   38    43    44    49    50    64    39    40    41    52    42    45  
   43    44    49    39    42  
   40    41    67    68    52    42    45    43    49    50    55    61    62    64  
   41    67    42    49    61    64  
   67    42    49    61    64  
   45    46    47    48    43    64  
   44    49    50    51    54    61    64    67    52    53  
   49    50    64    52  
   46    47    48  
   47    48  
   48  
    0  
   50    51    54    55    56    61    62    64    67    68    52    53  
   51    54    55    57    79    56    59    61    64    67    52    53  
   54    55    56    64    52  
   53    54    61    64    67  
   64  
   55    57    58    63    72    79    56    59    60    61    62    64  
   57    58    63    65    79    56    59    61    62    64    67  
   59    60    80    61    57    63    65    70    72    79  
   58    63    65    66    69    72    79    61    62    64  
   63    65    79    61  
   60    63    72    79  
   79  
   62    64    67    68    63  
   64    67  
   65    66    69    70    72    79    80    71  
   67    68  
   66    69    70    72    79    73    71    75  
   69    70    79    71  
   68  
    0  
   70    72    79    80    73    74    84    71    75    76    77    78  
   72    79    80    81    82    83    73    74    84    85    71    75  
   75    76    77    78    72    73  
   79    80    81    82    83    73    74    84  
   74    84    85    86    87    88    79    80  
   84    85  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    0  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.5000   0.0660  -0.065000   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
   84   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   85   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   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
   88   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   317.000  1.522
   49    64   268.000  1.529
   49    52   320.000  1.410
   50    51   570.000  1.229
   50    54   310.000  1.470
   54    55   469.000  1.400
   54    56   469.000  1.400
   55    57   469.000  1.400
   55    61   310.000  1.470
   57    58   367.000  1.080
   57    63   469.000  1.400
   63    65   469.000  1.400
   63    79   469.000  1.400
   65    66   367.000  1.080
   65    69   469.000  1.400
   69    70   469.000  1.400
   69    71   450.000  1.364
   70    72   469.000  1.400
   70    73   310.000  1.470
   72    79   469.000  1.400
   72    80   317.000  1.510
   79    56   469.000  1.400
   56    59   450.000  1.364
   59    60   553.000  0.945
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   73    74   570.000  1.229
   73    84   214.000  1.327
   84    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   71    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   61    62   570.000  1.229
   61    64   317.000  1.522
   64    39   268.000  1.529
   64    67   320.000  1.410
   39    40   570.000  1.307
   39    41   340.000  1.090
   67    68   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    64    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  109.06800
   43    49    64    70.00000  112.02700
   43    49    52    90.00000  110.39200
   49    43    44    85.00000  112.85300
   49    50    51    80.00000  120.40000
   49    50    54    65.00000  115.47100
   49    64    61    63.00000  111.10000
   49    64    39    58.35000  112.70000
   49    64    67    50.00000  109.50000
   49    52    53    55.00000  108.50000
   50    54    55    60.00000  119.52600
   50    54    56    60.00000  119.52600
   54    50    51    75.00000  123.78400
   54    55    57    63.00000  120.00000
   54    55    61    60.00000  119.52600
   54    56    79    63.00000  120.00000
   54    56    59    70.00000  120.00000
   55    57    58    35.00000  120.00000
   55    57    63    63.00000  120.00000
   55    61    62    75.00000  123.78400
   55    61    64    65.00000  115.47100
   57    63    65    63.00000  120.00000
   57    63    79    63.00000  120.00000
   63    57    58    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    69    63.00000  120.00000
   63    79    72    63.00000  120.00000
   63    79    56    63.00000  120.00000
   65    69    70    63.00000  120.00000
   65    69    71    70.00000  120.00000
   69    65    66    35.00000  120.00000
   69    70    72    63.00000  120.00000
   69    70    73    60.00000  119.52600
   69    71    75    75.00000  111.00000
   70    72    79    63.00000  120.00000
   70    72    80    70.00000  120.00000
   70    73    74    75.00000  123.78400
   70    73    84    81.00000  111.40000
   72    79    56    63.00000  120.00000
   72    80    81    35.00000  109.50000
   72    80    82    35.00000  109.50000
   72    80    83    35.00000  109.50000
   79    63    65    63.00000  120.00000
   79    56    59    70.00000  120.00000
   56    54    55    63.00000  120.00000
   56    59    60    35.00000  113.00000
   80    72    79    70.00000  120.00000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   73    70    72    60.00000  119.52600
   73    84    85    83.00000  116.90000
   84    73    74    83.00000  123.40000
   84    85    86    35.00000  109.50000
   84    85    87    35.00000  109.50000
   84    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   71    69    70    70.00000  120.00000
   71    75    76    35.00000  109.50000
   71    75    77    35.00000  109.50000
   71    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   61    55    57    60.00000  119.52600
   61    64    39    63.00000  111.10000
   61    64    67    90.00000  109.61100
   64    49    50    63.00000  111.10000
   64    61    62    80.00000  120.40000
   64    39    40    50.00000  109.50000
   64    39    41    37.50000  110.70000
   64    67    68    55.00000  108.50000
   39    33    37    70.00000  112.02700
   41    39    40    45.00000  125.66300
   67    64    39    50.00000  109.50000
   52    49    50    90.00000  109.61100
   52    49    64    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    64   0.44750  1.0 1.0
   29    33    39    64  -0.17800 -1.0 2.0
   29    33    39    64   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    64   0.34400  1.0 1.0
   37    33    39    64   0.09450 -1.0 2.0
   37    33    39    64   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  -0.51250  1.0 1.0
   37    43    49    50  -0.88800 -1.0 2.0
   37    43    49    50   0.08850  1.0 3.0
   37    43   -49    64   0.09850  1.0 1.0
   37    43   -49    64   0.15250 -1.0 2.0
   37    43   -49    64  -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   0.30150 -1.0 2.0
   43    49    50    54   0.65300  1.0 1.0
   43    49    50    54  -0.03850 -1.0 2.0
   43    49    50    54   0.33900  1.0 3.0
   43    49    64    61  -0.98800  1.0 1.0
   43    49    64    61   0.48800 -1.0 2.0
   43    49    64    61   0.76800  1.0 3.0
   43    49    64    39   0.34400  1.0 1.0
   43    49    64    39   0.09450 -1.0 2.0
   43    49    64    39   0.11100  1.0 3.0
   43    49    64    67   1.05650  1.0 1.0
   43    49    64    67   0.15600 -1.0 2.0
   43    49    64    67   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    64   0.09700  1.0 1.0
   44    43    49    64   0.15600 -1.0 2.0
   44    43    49    64  -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   2.26350  1.0 1.0
   49    50    54    55   0.76750 -1.0 2.0
   49    50    54    55   0.22500  1.0 3.0
   49    50    54    56   2.26350  1.0 1.0
   49    50    54    56   0.76750 -1.0 2.0
   49    50    54    56   0.22500  1.0 3.0
   49    64   -39    33   0.56750  1.0 1.0
   49    64   -39    33  -0.07550 -1.0 2.0
   49    64   -39    33   0.20000  1.0 3.0
   49    64    39    40   0.62750  1.0 1.0
   49    64    39    40  -0.30950 -1.0 2.0
   49    64    39    40   0.27300  1.0 3.0
   49    64    39    41   0.15000  1.0 3.0
   49    64    67    68  -0.11600  1.0 1.0
   49    64    67    68  -0.09450 -1.0 2.0
   49    64    67    68   0.21250  1.0 3.0
   50    49    64    61   0.11950  1.0 1.0
   50    49    64    61   0.20300 -1.0 2.0
   50    49    64    61  -0.70800  1.0 3.0
   50    49    64    39  -0.95700  1.0 1.0
   50    49    64    39  -0.18200 -1.0 2.0
   50    49    64    39   0.29450  1.0 3.0
   50    49    64    67  -0.09450  1.0 1.0
   50    49    64    67  -1.12950 -1.0 2.0
   50    49    64    67   0.54000  1.0 3.0
   50    49    52    53   0.91850  1.0 1.0
   50    49    52    53   0.57950  1.0 3.0
   50    54    55    57   3.62500 -1.0 2.0
   50    54   -55    61   3.62500 -1.0 2.0
   50    54    56    79   3.62500 -1.0 2.0
   50    54    56    59   3.62500 -1.0 2.0
   51    50    54    55   1.05000 -1.0 2.0
   51    50    54    56   1.05000 -1.0 2.0
   54    55    57    58   3.62500 -1.0 2.0
   54    55    57    63   3.62500 -1.0 2.0
   54    55    61    62   1.05000 -1.0 2.0
   54    55    61    64   2.26350  1.0 1.0
   54    55    61    64   0.76750 -1.0 2.0
   54    55    61    64   0.22500  1.0 3.0
   54    56    59    60   0.84100 -1.0 2.0
   55    54    56    79   3.62500 -1.0 2.0
   55    54    56    59   3.62500 -1.0 2.0
   55    57    63    65   3.62500 -1.0 2.0
   55    57   -63    79   3.62500 -1.0 2.0
   55    61   -64    49   0.05850 -1.0 2.0
   55    61   -64    49   0.17250  1.0 3.0
   55    61    64    39   0.05850 -1.0 2.0
   55    61    64    39   0.17250  1.0 3.0
   55    61    64    67   0.65300  1.0 1.0
   55    61    64    67  -0.03850 -1.0 2.0
   55    61    64    67   0.33900  1.0 3.0
   57    55    61    62   1.05000 -1.0 2.0
   57    55    61    64   2.26350  1.0 1.0
   57    55    61    64   0.76750 -1.0 2.0
   57    55    61    64   0.22500  1.0 3.0
   57    63    65    66   3.62500 -1.0 2.0
   57    63    65    69   3.62500 -1.0 2.0
   57    63    79    72   3.62500 -1.0 2.0
   57    63    79    56   3.62500 -1.0 2.0
   58    57    63    65   3.62500 -1.0 2.0
   58    57    63    79   3.62500 -1.0 2.0
   63    65    69    70   3.62500 -1.0 2.0
   63    65    69    71   3.62500 -1.0 2.0
   63    79   -56    54   3.62500 -1.0 2.0
   63    79    56    59   3.62500 -1.0 2.0
   65    63    79    72   3.62500 -1.0 2.0
   65    63    79    56   3.62500 -1.0 2.0
   65    69   -70    72   3.62500 -1.0 2.0
   65    69    70    73   3.62500 -1.0 2.0
   65    69    71    75   1.63200 -1.0 2.0
   66    65    69    70   3.62500 -1.0 2.0
   66    65    69    71   3.62500 -1.0 2.0
   69    70    72    79   3.62500 -1.0 2.0
   69    70    72    80   3.62500 -1.0 2.0
   69    70    73    74   1.05000 -1.0 2.0
   69    70    73    84   0.98750 -1.0 2.0
   69    71    75    76   0.08050  1.0 3.0
   69    71    75    77   0.08050  1.0 3.0
   69    71    75    78   0.08050  1.0 3.0
   70    69    71    75   1.63200 -1.0 2.0
   70    72   -79    63   3.62500 -1.0 2.0
   70    72    79    56   3.62500 -1.0 2.0
   70    72    80    81   0.00000  1.0 1.0
   70    72    80    82   0.00000  1.0 1.0
   70    72    80    83   0.00000  1.0 1.0
   70    73    84    85   0.59950  1.0 1.0
   70    73    84    85   3.24850 -1.0 2.0
   72    70    73    74   1.05000 -1.0 2.0
   72    70    73    84   0.98750 -1.0 2.0
   72    79    56    54   3.62500 -1.0 2.0
   72    79    56    59   3.62500 -1.0 2.0
   79    63    65    66   3.62500 -1.0 2.0
   79    63   -65    69   3.62500 -1.0 2.0
   79    72    80    81   0.00000  1.0 1.0
   79    72    80    82   0.00000  1.0 1.0
   79    72    80    83   0.00000  1.0 1.0
   79    56    59    60   0.84100 -1.0 2.0
   56    54   -55    57   3.62500 -1.0 2.0
   56    54    55    61   3.62500 -1.0 2.0
   80    72    79    63   3.62500 -1.0 2.0
   80    72    79    56   3.62500 -1.0 2.0
   73    70    72    79   3.62500 -1.0 2.0
   73    70    72    80   3.62500 -1.0 2.0
   73    84    85    86   0.08050  1.0 3.0
   73    84    85    87   0.08050  1.0 3.0
   73    84    85    88   0.08050  1.0 3.0
   74    73    84    85   3.00000 -1.0 2.0
   71    69    70    72   3.62500 -1.0 2.0
   71    69    70    73   3.62500 -1.0 2.0
   61    55    57    58   3.62500 -1.0 2.0
   61    55    57    63   3.62500 -1.0 2.0
   61    64    39    33  -0.95700  1.0 1.0
   61    64    39    33  -0.18200 -1.0 2.0
   61    64    39    33   0.29450  1.0 3.0
   61    64    39    40  -0.09450  1.0 1.0
   61    64    39    40  -1.12950 -1.0 2.0
   61    64    39    40   0.54000  1.0 3.0
   61    64    39    41  -0.11250  1.0 3.0
   61    64    67    68   0.91850  1.0 1.0
   61    64    67    68   0.57950  1.0 3.0
   62    61    64    49   0.30150 -1.0 2.0
   62    61    64    39   0.30150 -1.0 2.0
   62    61    64    67   0.30150 -1.0 2.0
   64    49    50    51   0.30150 -1.0 2.0
   64    49   -50    54   0.05850 -1.0 2.0
   64    49   -50    54   0.17250  1.0 3.0
   64    49    52    53  -0.11600  1.0 1.0
   64    49    52    53  -0.09450 -1.0 2.0
   64    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    64    67    68  -0.11600  1.0 1.0
   39    64    67    68  -0.09450 -1.0 2.0
   39    64    67    68   0.21250  1.0 3.0
   67    64    39    33   0.86500  1.0 1.0
   67    64    39    33  -0.17500 -1.0 2.0
   67    64    39    33   0.20800  1.0 3.0
   67    64    39    40   3.69350  1.0 1.0
   67    64    39    40  -1.82950 -1.0 2.0
   67    64    39    41   0.23400  1.0 3.0
   52    49    50    51   0.30150 -1.0 2.0
   52    49    50    54   0.65300  1.0 1.0
   52    49    50    54  -0.03850 -1.0 2.0
   52    49    50    54   0.33900  1.0 3.0
   52    49    64    61  -0.09450  1.0 1.0
   52    49    64    61  -1.12950 -1.0 2.0
   52    49    64    61   0.54000  1.0 3.0
   52    49    64    39   0.86500  1.0 1.0
   52    49    64    39  -0.17500 -1.0 2.0
   52    49    64    39   0.20800  1.0 3.0
   52    49    64    67   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    64   0.62750  1.0 1.0
   42    33    39    64  -0.30950 -1.0 2.0
   42    33    39    64   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    54    50    51  10.50000 -1.0 2.0
   55    56    54    50   4.00000 -1.0 2.0
   57    61    55    54   4.00000 -1.0 2.0
   63    58    57    55   1.10000 -1.0 2.0
   65    79    63    57   4.00000 -1.0 2.0
   69    66    65    63   1.10000 -1.0 2.0
   70    71    69    65   4.00000 -1.0 2.0
   72    73    70    69   4.00000 -1.0 2.0
   79    80    72    70   4.00000 -1.0 2.0
   72    56    79    63   4.00000 -1.0 2.0
   79    59    56    54   4.00000 -1.0 2.0
   70    84    73    74  10.50000 -1.0 2.0
   55    64    61    62  10.50000 -1.0 2.0
END
