* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    161    255     473
    1     0 S   NP   _N1_     1    28.99385    93.18010   -17.91737
    2     1 S   H    _HN1     2     1.02769    84.30909   -48.36756
    3     1 S   H    _H1_     3     1.02960   115.61131    59.32019
    4     1 S   H    _H2_     4     1.02828    23.64776   132.63119
    5     1 S   CT   _CA1     5     1.50244   122.38256  -161.23692
    6     5 S   HC   _HA1     6     1.09581   105.11633    36.14620
    7     5 S   CO3  _C1_     7     1.53947   112.36899   -83.57262
    8     7 S   O2Z  _O11     8     1.26370   115.06733   -37.89082
    9     7 S   O2Z  _O12     9     1.26267   114.97575   140.81556
   10     5 S   CT   _CB1    10     1.53104   107.25352   153.80947
   11    10 S   HC   HB11    11     1.09812   109.31631   -49.96633
   12    10 S   HC   HB12    12     1.09780   110.32808    66.23561
   13    10 S   CT   _CG1    13     1.53018   112.84248  -171.21580
   14    13 S   HC   HG11    14     1.09349   110.39320   -59.56348
   15    13 S   HC   HG12    15     1.09614   110.41780    58.92495
   16    13 S   C    _CD1    16     1.51832   111.14933   177.92491
   17    16 S   O    _OE1    17     1.22862   122.07266   -46.29276
   18    16 S   N    _N2_    18     1.38407   112.86841   135.22864
   19    18 S   H    _HN2    19     1.01536   119.05231    -1.07883
   20    18 S   CT1  _CA2    20     1.46267   123.62032   178.36004
   21    20 S   HC   _HA2    21     1.09712   109.29096   -13.30879
   22    20 S   C    _C2_    22     1.53495   107.85782  -128.99303
   23    22 S   O    _O2_    23     1.23029   122.30350  -146.17039
   24    20 S   CT   _CB2    32     1.53503   112.10349   109.12123
   25    24 S   HC   HB21    33     1.09422   110.00051    57.57607
   26    24 S   HC   HB22    34     1.09529   110.29546   176.32678
   27    22 S   N    _N3_    24     1.38520   113.48859    40.72251
   28    27 S   H    _HN3    25     1.01527   118.90317    -0.16193
   29    24 S   S    _SG2    35     1.82161   112.39657   -63.42350
   30    27 S   CT   _CA3    26     1.45390   123.32638   176.39989
   31    30 S   HC   HA31    27     1.09540   108.95212    28.70733
   32    30 S   HC   HA32    28     1.09494   107.14799   145.57458
   33    29 S   CT   _C26    36     1.82321    98.95279   172.04384
   34    33 S   HC   _H3_    37     1.09321   110.95518   -48.98127
   35    33 S   HC   _H4_    38     1.09506   107.81223    67.28790
   36    30 S   CO3  _C3_    29     1.52908   113.44677   -94.61385
   37    36 S   O2Z  _O31    30     1.26370   115.56365   -41.50627
   38    36 S   O2Z  _O32    31     1.26381   114.85400   139.49861
   39    33 S   CM   _C14    39     1.49853   109.65063  -171.31637
   40    39 S   CMA  _C15    40     1.35413   126.33864   -98.04431
   41    40 S   OM   _O24    41     1.26277   128.52391     0.03956
   42    40 S   OS   _O27    42     1.42549   109.01198  -179.33090
   43    42 S   CT   _C21    43     1.43734   103.91053   -22.62509
   44    43 S   HC   _H41    44     1.10356   106.75030   -77.42553
   45    43 S   CT   _C19    45     1.54012   112.49960   163.04954
   46    45 S   HC   _H39    46     1.09713   111.12915   -76.83771
   47    39 S   CT   _C20    54     1.51113   123.90641    87.10268
   48    47 S   HC   _H40    55     1.10103   105.58197    88.32470
   49    45 S   CM   _C11    47     1.51788   109.07445   161.34738
   50    49 S   CM   _C13    48     1.34523   126.60174    59.14988
   51    49 S   CO4  _C16    78     1.49277   106.33735  -118.49316
   52    51 S   O    _O25    79     1.21634   128.14702   177.03067
   53    50 S   CT   _C18    49     1.51118   120.42551     4.62114
   54    53 S   HC   _H37    50     1.09925   109.42900    58.34329
   55    53 S   HC   _H38    51     1.09894   108.93425   170.75527
   56    50 S   CT   _C23    74     1.50518   126.00402  -176.79197
   57    56 S   HC   _H43    75     1.09535   109.66262   122.23802
   58    56 S   HC   _H44    76     1.08909   114.56921     2.15477
   59    56 S   HC   _H45    77     1.09531   110.04669  -118.68351
   60    51 S   CM   _C10    80     1.46891   108.53200    -3.48835
   61    60 S   HC   _H36    81     1.07735   123.70873  -176.33441
   62    53 S   CT   _C22    52     1.54003   115.76460   -66.41578
   63    62 S   HC   _H42    53     1.09663   110.73150   -48.80519
   64    45 S   CM   _C12    82     1.51505   114.80510    46.47755
   65    62 S   OS   _O30    56     1.45453   104.97671  -168.32450
   66    64 S   CT   _C25    83     1.49364   122.81109   -68.11956
   67    66 S   HC   _H48    84     1.09545   111.25916  -169.17176
   68    66 S   HC   _H49    85     1.09283   111.39091    70.74823
   69    65 S   CO4  _C17    57     1.36548   117.73930    91.11459
   70    69 S   O    _O26    58     1.22203   125.40496     3.36616
   71    66 S   OH   _O29    86     1.42045   109.41383   -50.11249
   72    71 S   HO   _H53    87     0.97228   106.93795   173.93718
   73    69 S   CT   _C24    59     1.51227   109.06018  -174.62473
   74    73 S   HC   _H46    60     1.09606   108.43162    75.34817
   75    73 S   HC   _H47    61     1.09685   108.25064   -41.15580
   76    73 S   CA   _C8_    62     1.50899   113.75507  -162.93183
   77    76 S   CA   _C4_    63     1.40263   120.41109   112.62979
   78    77 S   HA   _H32    64     1.08739   120.48150     0.78957
   79    77 S   CA   _C6_    65     1.39586   120.66945  -178.63886
   80    79 S   HA   _H34    66     1.08617   119.45420   179.37193
   81    79 S   CA   _C9_    67     1.39186   119.53309    -0.13122
   82    81 S   CA   _C7_    68     1.39111   120.70392    -0.71299
   83    82 S   HA   _H35    69     1.08643   120.61467  -179.96574
   84    81 S   OH   _O28    72     1.36601   121.01060   179.21316
   85    84 S   HO   _H52    73     0.97250   108.54570    -1.43504
   86    76 S   CA   _C5_    70     1.40291   120.73084   -67.18778
   87    86 S   HA   _H33    71     1.08789   120.38319    -0.47642
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  15   7  17   7  11   4
  15  14   7   3  10   5   4   4   2   1   1   6   2   5   2   5
   6   4   3   2   7   4   1   1   9   4   3   9   8   4   7   3
   6   5   3   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    62    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    53    62    63    47    48    65  
   41    42    43    44    45    62    47    48  
   42    43    47  
   43    44    45    46    49    62    47    48    64  
   44    45    46    49    50    53    62    63    47    48    65    51    60    64    66  
   45    46    49    62    47    48    64  
   46    49    50    53    62    47    48    56    51    52    60    61    64    66    67    68    71  
   49    50    47    51    60    64    66  
   48    65    69    64    49    50    53    54    55    62    63  
   65    53    62    63  
   50    53    54    55    62    56    57    58    59    51    52    60    61    64    66  
   53    54    55    62    63    65    56    57    58    59    51    52    60    64  
   52    60    61    64    66    53    56  
   60    61    64  
   54    55    62    63    65    69    56    57    58    59  
   55    62    63    65    56  
   62    63    65    56  
   57    58    59    62  
   58    59  
   59  
    0  
   61    64    66    67    68    71  
   64    66  
   63    65    69    70    73  
   65    69  
   66    67    68    71    72  
   69    70    73    74    75    76  
   67    68    71    72  
   68    71    72  
   71    72  
   70    73    74    75    76    77    86  
   73    74    75    76  
   72  
    0  
   74    75    76    77    78    79    82    86    87  
   75    76    77    86  
   76    77    86  
   77    78    79    80    81    82    83    86    87  
   78    79    80    81    82    86    87    84  
   79    80    81    86  
   80    81    82    83    86    84    85  
   81    82    84  
   82    83    86    87    84    85  
   83    86    87    84    85  
   86    87    84  
   85    86  
    0  
   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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.145000   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    47   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   268.000  1.529
   45    46   340.000  1.090
   45    49   317.000  1.510
   45    64   317.000  1.510
   49    50   549.000  1.340
   49    51   320.000  1.462
   50    53   317.000  1.510
   50    56   317.000  1.510
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    62   268.000  1.529
   62    63   340.000  1.090
   62    47   268.000  1.529
   62    65   320.000  1.410
   47    48   340.000  1.090
   65    69   214.000  1.327
   69    70   570.000  1.229
   69    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   317.000  1.510
   76    77   469.000  1.400
   76    86   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   469.000  1.400
   81    84   450.000  1.364
   82    83   367.000  1.080
   82    86   469.000  1.400
   86    87   367.000  1.080
   84    85   553.000  0.945
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   51    52   570.000  1.229
   51    60   320.000  1.462
   60    61   340.000  1.080
   60    64   549.000  1.340
   64    66   317.000  1.510
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   320.000  1.410
   71    72   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    47    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    47    43    70.00000  112.02700
   39    47    62    70.00000  112.02700
   39    47    48    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    47    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    49    70.00000  112.02700
   43    45    64    70.00000  112.02700
   43    47    62    58.35000  112.70000
   43    47    48    37.50000  110.70000
   45    43    44    37.50000  110.70000
   45    49    50    70.00000  124.00000
   45    49    51    65.00000  116.34900
   45    64    60    70.00000  124.00000
   45    64    66    65.00000  117.92700
   49    45    46    35.00000  109.50000
   49    50    53    70.00000  124.00000
   49    50    56    70.00000  124.00000
   49    51    52    80.00000  123.72100
   49    51    60    65.00000  118.65900
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    62    70.00000  112.02700
   50    56    57    35.00000  109.50000
   50    56    58    35.00000  109.50000
   50    56    59    35.00000  109.50000
   53    62    63    37.50000  110.70000
   53    62    47    58.35000  112.70000
   53    62    65    50.00000  109.50000
   55    53    54    33.00000  107.80000
   62    53    54    37.50000  110.70000
   62    53    55    37.50000  110.70000
   62    47    48    37.50000  110.70000
   62    65    69    83.00000  116.90000
   47    39    40    70.00000  124.00000
   47    43    44    37.50000  110.70000
   47    43    45    58.35000  112.70000
   47    62    63    37.50000  110.70000
   65    62    63    35.00000  109.50000
   65    62    47    50.00000  109.50000
   65    69    70    83.00000  123.40000
   65    69    73    81.00000  111.40000
   69    73    74    35.00000  109.50000
   69    73    75    35.00000  109.50000
   69    73    76    70.00000  110.93000
   73    69    70    80.00000  120.40000
   73    76    77    70.00000  120.00000
   73    76    86    70.00000  120.00000
   75    73    74    33.00000  107.80000
   76    73    74    35.00000  109.50000
   76    73    75    35.00000  109.50000
   76    77    78    35.00000  120.00000
   76    77    79    63.00000  120.00000
   76    86    82    63.00000  120.00000
   76    86    87    35.00000  120.00000
   77    79    80    35.00000  120.00000
   77    79    81    63.00000  120.00000
   79    77    78    35.00000  120.00000
   79    81    82    63.00000  120.00000
   79    81    84    70.00000  120.00000
   81    79    80    35.00000  120.00000
   81    82    83    35.00000  120.00000
   81    82    86    63.00000  120.00000
   81    84    85    35.00000  113.00000
   82    86    87    35.00000  120.00000
   86    76    77    63.00000  120.00000
   86    82    83    35.00000  120.00000
   84    81    82    70.00000  120.00000
   56    50    53    65.00000  117.92700
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   51    49    50    65.00000  118.96000
   51    60    61    40.00000  117.72500
   51    60    64    65.00000  118.96000
   60    51    52    80.00000  123.72100
   60    64    66    70.00000  124.00000
   64    45    46    35.00000  109.50000
   64    45    49    70.00000  110.12100
   64    60    61    35.00000  120.00000
   64    66    67    35.00000  109.50000
   64    66    68    35.00000  109.50000
   64    66    71    90.00000  110.39200
   66    71    72    55.00000  108.50000
   68    66    67    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    68    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    47   0.30250  1.0 1.0
   29    33    39    47  -0.14950 -1.0 2.0
   29    33    39    47   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    47    43   0.46850  1.0 1.0
   33    39    47    43   0.08550 -1.0 2.0
   33    39    47    43   0.09800  1.0 3.0
   33    39    47    62   0.46850  1.0 1.0
   33    39    47    62   0.08550 -1.0 2.0
   33    39    47    62   0.09800  1.0 3.0
   33    39    47    48   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -47    43   0.09850  1.0 1.0
   40    39   -47    43   0.15250 -1.0 2.0
   40    39   -47    43  -0.50650  1.0 3.0
   40    39    47    62   0.09850  1.0 1.0
   40    39    47    62   0.15250 -1.0 2.0
   40    39    47    62  -0.50650  1.0 3.0
   40    39    47    48   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.46850  1.0 1.0
   40    42    43    45   0.09300 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    47  -0.46850  1.0 1.0
   40    42   -43    47   0.09300 -1.0 2.0
   40    42   -43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    49   0.61850  1.0 1.0
   42    43    45    49  -0.22750 -1.0 2.0
   42    43    45    49   0.15300  1.0 3.0
   42    43    45    64   0.61850  1.0 1.0
   42    43    45    64  -0.22750 -1.0 2.0
   42    43    45    64   0.15300  1.0 3.0
   42    43   -47    39   0.61850  1.0 1.0
   42    43   -47    39  -0.22750 -1.0 2.0
   42    43   -47    39   0.15300  1.0 3.0
   42    43    47    62   0.62750  1.0 1.0
   42    43    47    62  -0.30950 -1.0 2.0
   42    43    47    62   0.27300  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   43    45    49    50   0.09850  1.0 1.0
   43    45    49    50   0.15250 -1.0 2.0
   43    45    49    50  -0.50650  1.0 3.0
   43    45    49    51   0.09700  1.0 1.0
   43    45    49    51   0.15600 -1.0 2.0
   43    45    49    51  -0.50800  1.0 3.0
   43    45    64    60   0.09850  1.0 1.0
   43    45    64    60   0.15250 -1.0 2.0
   43    45    64    60  -0.50650  1.0 3.0
   43    45    64    66   0.46850  1.0 1.0
   43    45    64    66   0.08550 -1.0 2.0
   43    45    64    66   0.09800  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    49   0.15000  1.0 3.0
   44    43    45    64   0.15000  1.0 3.0
   44    43    47    39   0.15000  1.0 3.0
   44    43    47    62   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   45    43    47    39   0.34400  1.0 1.0
   45    43    47    39   0.09450 -1.0 2.0
   45    43    47    39   0.11100  1.0 3.0
   45    43    47    62   0.56750  1.0 1.0
   45    43    47    62  -0.07550 -1.0 2.0
   45    43    47    62   0.20000  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    49    50    53   7.00000 -1.0 2.0
   45    49    50    56   7.00000 -1.0 2.0
   45    49    51    52  -0.64400  1.0 1.0
   45    49    51    52   0.26850 -1.0 2.0
   45    49   -51    60   1.50000 -1.0 2.0
   45    64    66    67   0.34800  1.0 3.0
   45    64    66    68   0.34800  1.0 3.0
   45    64    66    71   0.18000  1.0 1.0
   45    64    66    71   0.16450 -1.0 2.0
   45    64    66    71   0.04450  1.0 3.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    51   0.15000  1.0 3.0
   46    45    64    60   0.00000  1.0 1.0
   46    45    64    66   0.34800  1.0 3.0
   49    45   -64    60  -0.28300  1.0 1.0
   49    45   -64    60   0.26700 -1.0 2.0
   49    45   -64    60  -0.63300  1.0 3.0
   49    45    64    66   0.09700  1.0 1.0
   49    45    64    66   0.15600 -1.0 2.0
   49    45    64    66  -0.50800  1.0 3.0
   49    50    53    54   0.00000  1.0 1.0
   49    50    53    55   0.00000  1.0 1.0
   49    50    53    62   0.09850  1.0 1.0
   49    50    53    62   0.15250 -1.0 2.0
   49    50    53    62  -0.50650  1.0 3.0
   49    50    56    57   0.00000  1.0 1.0
   49    50    56    58   0.00000  1.0 1.0
   49    50    56    59   0.00000  1.0 1.0
   49    51    60    61   0.93700 -1.0 2.0
   49    51   -60    64  -1.18350  1.0 1.0
   49    51   -60    64   1.45950 -1.0 2.0
   50    49    51    52   1.00000 -1.0 2.0
   50    49    51    60  -1.18350  1.0 1.0
   50    49    51    60   1.45950 -1.0 2.0
   50    53    62    63   0.15000  1.0 3.0
   50    53    62    47   0.34400  1.0 1.0
   50    53    62    47   0.09450 -1.0 2.0
   50    53    62    47   0.11100  1.0 3.0
   50    53    62    65   0.61850  1.0 1.0
   50    53    62    65  -0.22750 -1.0 2.0
   50    53    62    65   0.15300  1.0 3.0
   53    50    56    57   0.34800  1.0 3.0
   53    50    56    58   0.34800  1.0 3.0
   53    50    56    59   0.34800  1.0 3.0
   53    62    47    39   0.34400  1.0 1.0
   53    62    47    39   0.09450 -1.0 2.0
   53    62    47    39   0.11100  1.0 3.0
   53    62    47    43   0.56750  1.0 1.0
   53    62    47    43  -0.07550 -1.0 2.0
   53    62    47    43   0.20000  1.0 3.0
   53    62    47    48   0.15000  1.0 3.0
   53    62    65    69  -0.25900  1.0 1.0
   53    62    65    69  -0.47000 -1.0 2.0
   53    62    65    69   0.11750  1.0 3.0
   54    53    62    63   0.15000  1.0 3.0
   54    53    62    47   0.15000  1.0 3.0
   54    53    62    65   0.23400  1.0 3.0
   55    53    62    63   0.15000  1.0 3.0
   55    53    62    47   0.15000  1.0 3.0
   55    53    62    65   0.23400  1.0 3.0
   62    65    69    70   3.00000 -1.0 2.0
   62    65    69    73   1.63150  1.0 1.0
   62    65    69    73   2.92000 -1.0 2.0
   63    62    47    39   0.15000  1.0 3.0
   63    62    47    43   0.15000  1.0 3.0
   63    62    47    48   0.15000  1.0 3.0
   63    62    65    69   0.08050  1.0 3.0
   47    39    40    41   7.00000 -1.0 2.0
   47    39   -40    42   7.00000 -1.0 2.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    49   0.34400  1.0 1.0
   47    43    45    49   0.09450 -1.0 2.0
   47    43    45    49   0.11100  1.0 3.0
   47    43    45    64   0.34400  1.0 1.0
   47    43    45    64   0.09450 -1.0 2.0
   47    43    45    64   0.11100  1.0 3.0
   47    62    65    69  -0.25900  1.0 1.0
   47    62    65    69  -0.47000 -1.0 2.0
   47    62    65    69   0.11750  1.0 3.0
   65    62    47    39   0.61850  1.0 1.0
   65    62    47    39  -0.22750 -1.0 2.0
   65    62    47    39   0.15300  1.0 3.0
   65    62    47    43   0.62750  1.0 1.0
   65    62    47    43  -0.30950 -1.0 2.0
   65    62    47    43   0.27300  1.0 3.0
   65    62    47    48   0.23400  1.0 3.0
   65    69    73    74   0.00000  1.0 1.0
   65    69    73    75   0.00000  1.0 1.0
   65    69    73    76   0.40000  1.0 3.0
   69    73    76    77   0.04300 -1.0 2.0
   69    73    76    86   0.04300 -1.0 2.0
   70    69    73    74   0.00000  1.0 1.0
   70    69    73    75   0.00000  1.0 1.0
   70    69    73    76   0.30150 -1.0 2.0
   73    76    77    78   3.62500 -1.0 2.0
   73    76    77    79   3.62500 -1.0 2.0
   73    76    86    82   3.62500 -1.0 2.0
   73    76    86    87   3.62500 -1.0 2.0
   74    73    76    77   0.00000  1.0 1.0
   74    73    76    86   0.00000  1.0 1.0
   75    73    76    77   0.00000  1.0 1.0
   75    73    76    86   0.00000  1.0 1.0
   76    77    79    80   3.62500 -1.0 2.0
   76    77    79    81   3.62500 -1.0 2.0
   77    76    86    82   3.62500 -1.0 2.0
   77    76    86    87   3.62500 -1.0 2.0
   77    79   -81    82   3.62500 -1.0 2.0
   77    79    81    84   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   78    77    79    81   3.62500 -1.0 2.0
   79    81    82    83   3.62500 -1.0 2.0
   79    81    82    86   3.62500 -1.0 2.0
   79    81    84    85   0.84100 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   80    79    81    84   3.62500 -1.0 2.0
   81    82   -86    76   3.62500 -1.0 2.0
   81    82    86    87   3.62500 -1.0 2.0
   82    81    84    85   0.84100 -1.0 2.0
   83    82    86    76   3.62500 -1.0 2.0
   83    82    86    87   3.62500 -1.0 2.0
   86    76    77    78   3.62500 -1.0 2.0
   86    76   -77    79   3.62500 -1.0 2.0
   84    81    82    83   3.62500 -1.0 2.0
   84    81    82    86   3.62500 -1.0 2.0
   56    50    53    54   0.34800  1.0 3.0
   56    50    53    55   0.34800  1.0 3.0
   56    50    53    62   0.46850  1.0 1.0
   56    50    53    62   0.08550 -1.0 2.0
   56    50    53    62   0.09800  1.0 3.0
   51    49    50    53   7.00000 -1.0 2.0
   51    49    50    56   7.00000 -1.0 2.0
   51    60   -64    45   7.00000 -1.0 2.0
   51    60    64    66   7.00000 -1.0 2.0
   52    51    60    61   0.00000  1.0 1.0
   52    51    60    64   1.00000 -1.0 2.0
   60    64    66    67   0.00000  1.0 1.0
   60    64    66    68   0.00000  1.0 1.0
   60    64    66    71   0.67800  1.0 1.0
   60    64    66    71   0.47050 -1.0 2.0
   60    64    66    71  -0.62500  1.0 3.0
   61    60    64    45   7.00000 -1.0 2.0
   61    60    64    66   7.00000 -1.0 2.0
   64    45    49    50  -0.28300  1.0 1.0
   64    45    49    50   0.26700 -1.0 2.0
   64    45    49    50  -0.63300  1.0 3.0
   64    45   -49    51   0.09700  1.0 1.0
   64    45   -49    51   0.15600 -1.0 2.0
   64    45   -49    51  -0.50800  1.0 3.0
   64    66    71    72  -0.07800  1.0 1.0
   64    66    71    72  -0.21500 -1.0 2.0
   64    66    71    72  -0.03150  1.0 3.0
   67    66    71    72   0.19450  1.0 3.0
   68    66    71    72   0.19450  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   33    47    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   45    51    49    50   1.10000 -1.0 2.0
   53    56    50    49   1.10000 -1.0 2.0
   65    73    69    70  10.50000 -1.0 2.0
   77    86    76    73   4.00000 -1.0 2.0
   79    78    77    76   1.10000 -1.0 2.0
   81    80    79    77   1.10000 -1.0 2.0
   82    84    81    79   4.00000 -1.0 2.0
   86    83    82    81   1.10000 -1.0 2.0
   82    87    86    76   1.10000 -1.0 2.0
   49    60    51    52  10.50000 -1.0 2.0
   51    61    60    64   1.10000 -1.0 2.0
   45    66    64    60   1.10000 -1.0 2.0
END
