* LIGAND DATABASE FILE (OPLS2005)
*
001      90    89    161    237     474
    1     0 S   NP   _N1_     1    29.91628    88.96170   -25.70686
    2     1 S   H    _HN1     2     1.02910   100.02447    37.10255
    3     1 S   H    _H1_     3     1.02733    11.85933   -91.96784
    4     1 S   H    _H2_     4     1.03469   119.19576   -78.96687
    5     1 S   CT   _CA1     5     1.49973   106.63599   152.27123
    6     5 S   HC   _HA1     6     1.09580   105.32175    66.13273
    7     5 S   CO3  _C1_     7     1.53761   112.25649   -54.02988
    8     7 S   O2Z  _O11     8     1.26373   115.08336   -47.48570
    9     7 S   O2Z  _O12     9     1.26269   114.94727   131.78572
   10     5 S   CT   _CB1    10     1.53032   107.33113  -176.38080
   11    10 S   HC   HB11    11     1.09790   108.82680   -54.76963
   12    10 S   HC   HB12    12     1.09839   110.50283    61.44145
   13    10 S   CT   _CG1    13     1.53110   113.16684  -176.07939
   14    13 S   HC   HG11    14     1.09573   110.18084   -64.25536
   15    13 S   HC   HG12    15     1.09597   110.43438    55.06832
   16    13 S   C    _CD1    16     1.51752   111.45792   174.64555
   17    16 S   O    _OE1    17     1.22783   122.77089   -23.72785
   18    16 S   N    _N2_    18     1.38480   112.54478   157.47705
   19    18 S   H    _HN2    19     1.01539   119.38755     5.88177
   20    18 S   CT1  _CA2    20     1.45699   122.33777  -178.74539
   21    20 S   HC   _HA2    21     1.09413   108.08029    22.18966
   22    20 S   C    _C2_    22     1.52817   108.34982   -93.59496
   23    22 S   O    _O2_    23     1.22905   123.14214   -29.40767
   24    20 S   CT   _CB2    32     1.53278   112.19768   145.53410
   25    24 S   HC   HB21    33     1.09666   109.66810    52.69072
   26    24 S   HC   HB22    34     1.09392   111.23639   169.69439
   27    22 S   N    _N3_    24     1.38717   112.16370   153.19436
   28    27 S   H    _HN3    25     1.01634   120.18369    -1.99753
   29    24 S   S    _SG2    35     1.83238   113.69560   -66.58672
   30    27 S   CT   _CA3    26     1.45309   122.76281   178.80074
   31    30 S   HC   HA31    27     1.09562   107.65782   -58.51055
   32    30 S   HC   HA32    28     1.09563   107.67847    57.74431
   33    29 S   CT   _C13    36     1.85962   100.42495   -70.20110
   34    33 S   HC   _H5_    37     1.09478   105.70960    38.83842
   35    30 S   CO3  _C3_    29     1.53033   114.47146   179.62727
   36    35 S   O2Z  _O31    30     1.26366   116.29242    -0.08156
   37    35 S   O2Z  _O32    31     1.26455   114.32340   179.91607
   38    33 S   CT   _C14    38     1.55140   110.23763   152.77825
   39    38 S   HC   _H19    39     1.09788   110.93104    57.38047
   40    38 S   HC   _H20    40     1.09566   109.98051   173.53917
   41    33 S   CT   _C12    64     1.56958   111.13744   -76.98596
   42    41 S   OM   _O35    65     1.32206   111.28860   -82.80415
   43    41 S   HC   _H4_    66     1.09936   106.26117    46.79295
   44    38 S   CM   _C15    41     1.50813   113.09068   -63.97955
   45    44 S   HC   _H21    42     1.08884   115.53081    88.83274
   46    41 S   CM   _C11    67     1.52282   108.66716   159.31720
   47    46 S   HC   _H18    68     1.08910   119.17973    84.31078
   48    44 S   CM   _C16    43     1.34225   127.22244   -90.47957
   49    48 S   HC   _H22    44     1.08940   117.10392   179.30170
   50    46 S   CM   _C10    69     1.34466   121.92145   -92.50915
   51    50 S   HC   _H17    70     1.08743   118.69616    -0.82614
   52    48 S   CT   _C17    45     1.50056   127.51419    -0.08847
   53    52 S   HC   _H23    46     1.09486   111.94370   -13.39568
   54    52 S   HC   _H24    47     1.09496   108.65947  -128.95369
   55    50 S   CT   _C9_    71     1.50067   124.68501   176.93676
   56    55 S   HC   _H3_    72     1.09587   110.43395    25.65413
   57    52 S   CM   _C18    48     1.50019   111.53033   107.72438
   58    57 S   HC   _H25    49     1.08920   115.27770   -83.71291
   59    55 S   CT   _C8_    73     1.53340   110.78866   -96.33060
   60    59 S   HC   _H15    74     1.09777   109.95417   -59.10561
   61    59 S   HC   _H16    75     1.09665   109.33040    58.47516
   62    55 S   OH   _O36    89     1.42677   108.50836   142.80666
   63    62 S   HO   _H33    90     0.97628   107.72465    61.75604
   64    57 S   CM   _C19    50     1.34195   127.70304    95.63843
   65    64 S   HC   _H26    51     1.08912   117.10389  -179.80218
   66    59 S   CT   _C7_    76     1.53147   112.53001   179.86152
   67    66 S   HC   _H13    77     1.09637   109.96003    61.11902
   68    66 S   HC   _H14    78     1.09667   109.55136   -56.53076
   69    64 S   CT   _C20    52     1.50086   127.44656    -1.72997
   70    69 S   HC   _H27    53     1.09663   108.33221   128.58667
   71    69 S   HC   _H28    54     1.09419   111.82151    11.51245
   72    66 S   CT   _C6_    79     1.53042   110.97187  -177.65765
   73    72 S   HC   _H11    80     1.09698   109.57495    58.56330
   74    72 S   HC   _H12    81     1.09693   109.56549   -58.64713
   75    69 S   CT   _C21    55     1.53105   110.67447  -110.84356
   76    75 S   HC   _H29    56     1.09752   109.52077    60.14384
   77    75 S   HC   _H30    57     1.09768   109.87133   -56.76560
   78    72 S   CT   _C5_    82     1.52811   111.38916   179.93744
   79    78 S   HC   _H9_    83     1.09621   109.87133   -58.80028
   80    78 S   HC   _H10    84     1.09621   109.87435    58.94952
   81    75 S   CT   _C22    58     1.52543   111.57258  -178.49767
   82    81 S   HC   _H31    59     1.09715   109.40526   -57.72863
   83    81 S   HC   _H32    60     1.09699   109.49613    59.62438
   84    78 S   CT   _C4_    85     1.52040   111.44762  -179.92338
   85    84 S   HC   _H6_    86     1.09470   110.99946   -60.26796
   86    84 S   HC   _H7_    87     1.09472   111.00051    60.23800
   87    84 S   HC   _H8_    88     1.09448   110.26375   179.97202
   88    81 S   CO3  _C23    61     1.53166   115.15213  -179.02482
   89    88 S   O2Z  _O34    62     1.26463   114.18823   176.83232
   90    88 S   O2Z  _O33    63     1.26228   116.76597    -2.80002
  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
  13   8   2   1   1  11   5   4   8   4   3   7   3   7   3   7
   4   9   4   7   4   3  10   6   7   3  11   6   5   2   1   8
   4   9   5   4   9   5   4   9   5   4   8   5   4   6   5   4
   5   4   3   3   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    41    42    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    48    41    42    43    46    47    50  
   38    39    40    44    41    42    43    46  
   36    37  
   37  
    0  
   39    40    44    45    48    49    52    41    42    43    46  
   40    44    45    48    41  
   44    45    48    41  
   42    43    46    47    50    51    55    44  
   43    46    47    50  
   46    47    50  
   45    48    49    52    53    54    57  
   48    49    52  
   47    50    51    55    56    59    62  
   50    51    55  
   49    52    53    54    57    58    64  
   52    53    54    57  
   51    55    56    59    60    61    66    62    63  
   55    56    59    62  
   53    54    57    58    64    65    69  
   54    57    58    64  
   57    58    64  
   56    59    60    61    66    67    68    72    62    63  
   59    60    61    66    62    63  
   58    64    65    69    70    71    75  
   64    65    69  
   60    61    66    67    68    72    73    74    78    62    63  
   61    66    67    68    72    62  
   66    67    68    72    62  
   63    66  
    0  
   65    69    70    71    75    76    77    81  
   69    70    71    75  
   67    68    72    73    74    78    79    80    84  
   68    72    73    74    78  
   72    73    74    78  
   70    71    75    76    77    81    82    83    88  
   71    75    76    77    81  
   75    76    77    81  
   73    74    78    79    80    84    85    86    87  
   74    78    79    80    84  
   78    79    80    84  
   76    77    81    82    83    88    89    90  
   77    81    82    83    88  
   81    82    83    88  
   79    80    84    85    86    87  
   80    84    85    86    87  
   84    85    86    87  
   82    83    88    89    90  
   83    88    89    90  
   88    89    90  
   85    86    87  
   86    87  
   87  
    0  
   89    90  
   90  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   317.000  1.510
   44    45   340.000  1.080
   44    48   549.000  1.340
   48    49   340.000  1.080
   48    52   317.000  1.510
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   317.000  1.510
   57    58   340.000  1.080
   57    64   549.000  1.340
   64    65   340.000  1.080
   64    69   317.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    88   317.000  1.522
   88    89   656.000  1.250
   88    90   656.000  1.250
   41    42   570.000  1.307
   41    43   340.000  1.090
   41    46   317.000  1.510
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   340.000  1.080
   50    55   317.000  1.510
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    62   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   62    63   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    70.00000  112.02700
   33    41    42    50.00000  109.50000
   33    41    43    37.50000  110.70000
   33    41    46    70.00000  112.02700
   38    33    34    37.50000  110.70000
   38    44    45    35.00000  117.00000
   38    44    48    70.00000  124.00000
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    48    49    35.00000  120.00000
   44    48    52    70.00000  124.00000
   48    44    45    35.00000  120.00000
   48    52    53    35.00000  109.50000
   48    52    54    35.00000  109.50000
   48    52    57    70.00000  110.12100
   52    48    49    35.00000  117.00000
   52    57    58    35.00000  117.00000
   52    57    64    70.00000  124.00000
   54    52    53    33.00000  107.80000
   57    52    53    35.00000  109.50000
   57    52    54    35.00000  109.50000
   57    64    65    35.00000  120.00000
   57    64    69    70.00000  124.00000
   64    57    58    35.00000  120.00000
   64    69    70    35.00000  109.50000
   64    69    71    35.00000  109.50000
   64    69    75    70.00000  112.02700
   69    64    65    35.00000  117.00000
   69    75    76    37.50000  110.70000
   69    75    77    37.50000  110.70000
   69    75    81    58.35000  112.70000
   71    69    70    33.00000  107.80000
   75    69    70    37.50000  110.70000
   75    69    71    37.50000  110.70000
   75    81    82    37.50000  110.70000
   75    81    83    37.50000  110.70000
   75    81    88    70.00000  109.69300
   77    75    76    33.00000  107.80000
   81    75    76    37.50000  110.70000
   81    75    77    37.50000  110.70000
   81    88    89    70.00000  117.00000
   81    88    90    70.00000  117.00000
   83    81    82    33.00000  107.80000
   88    81    82    35.00000  109.50000
   88    81    83    35.00000  109.50000
   90    88    89    80.00000  126.00000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    46    47    35.00000  117.00000
   41    46    50    70.00000  124.00000
   43    41    42    45.00000  125.66300
   46    41    42    85.00000  110.90400
   46    41    43    35.00000  109.50000
   46    50    51    35.00000  120.00000
   46    50    55    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    55    56    35.00000  109.50000
   50    55    59    70.00000  112.02700
   50    55    62    90.00000  110.39200
   55    50    51    35.00000  117.00000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    66    58.35000  112.70000
   55    62    63    55.00000  108.50000
   59    55    56    37.50000  110.70000
   59    66    67    37.50000  110.70000
   59    66    68    37.50000  110.70000
   59    66    72    58.35000  112.70000
   61    59    60    33.00000  107.80000
   66    59    60    37.50000  110.70000
   66    59    61    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    78    58.35000  112.70000
   68    66    67    33.00000  107.80000
   72    66    67    37.50000  110.70000
   72    66    68    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    80    37.50000  110.70000
   72    78    84    58.35000  112.70000
   74    72    73    33.00000  107.80000
   78    72    73    37.50000  110.70000
   78    72    74    37.50000  110.70000
   78    84    85    37.50000  110.70000
   78    84    86    37.50000  110.70000
   78    84    87    37.50000  110.70000
   80    78    79    33.00000  107.80000
   84    78    79    37.50000  110.70000
   84    78    80    37.50000  110.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   62    55    56    35.00000  109.50000
   62    55    59    50.00000  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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    46   0.56750  1.0 1.0
   29    33    41    46  -0.07550 -1.0 2.0
   29    33    41    46   0.20000  1.0 3.0
   33    38    44    45   0.00000  1.0 1.0
   33    38    44    48   0.09850  1.0 1.0
   33    38    44    48   0.15250 -1.0 2.0
   33    38    44    48  -0.50650  1.0 3.0
   33    41    46    47   0.00000  1.0 1.0
   33    41    46    50   0.09850  1.0 1.0
   33    41    46    50   0.15250 -1.0 2.0
   33    41    46    50  -0.50650  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    44   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    43   0.15000  1.0 3.0
   38    33    41    46   0.34400  1.0 1.0
   38    33    41    46   0.09450 -1.0 2.0
   38    33    41    46   0.11100  1.0 3.0
   38    44    48    49   7.00000 -1.0 2.0
   38    44    48    52   7.00000 -1.0 2.0
   39    38    44    45   0.33100  1.0 3.0
   39    38    44    48   0.00000  1.0 1.0
   40    38    44    45   0.33100  1.0 3.0
   40    38    44    48   0.00000  1.0 1.0
   44    48    52    53   0.00000  1.0 1.0
   44    48    52    54   0.00000  1.0 1.0
   44    48    52    57  -0.28300  1.0 1.0
   44    48    52    57   0.26700 -1.0 2.0
   44    48    52    57  -0.63300  1.0 3.0
   45    44    48    49   7.00000 -1.0 2.0
   45    44    48    52   7.00000 -1.0 2.0
   48    52    57    58   0.00000  1.0 1.0
   48    52    57    64  -0.28300  1.0 1.0
   48    52    57    64   0.26700 -1.0 2.0
   48    52    57    64  -0.63300  1.0 3.0
   49    48    52    53   0.33100  1.0 3.0
   49    48    52    54   0.33100  1.0 3.0
   49    48    52    57   0.00000  1.0 1.0
   52    57    64    65   7.00000 -1.0 2.0
   52    57    64    69   7.00000 -1.0 2.0
   53    52    57    58   0.33100  1.0 3.0
   53    52    57    64   0.00000  1.0 1.0
   54    52    57    58   0.33100  1.0 3.0
   54    52    57    64   0.00000  1.0 1.0
   57    64    69    70   0.00000  1.0 1.0
   57    64    69    71   0.00000  1.0 1.0
   57    64    69    75   0.09850  1.0 1.0
   57    64    69    75   0.15250 -1.0 2.0
   57    64    69    75  -0.50650  1.0 3.0
   58    57    64    65   7.00000 -1.0 2.0
   58    57    64    69   7.00000 -1.0 2.0
   64    69    75    76   0.15000  1.0 3.0
   64    69    75    77   0.15000  1.0 3.0
   64    69    75    81   0.34400  1.0 1.0
   64    69    75    81   0.09450 -1.0 2.0
   64    69    75    81   0.11100  1.0 3.0
   65    64    69    70   0.33100  1.0 3.0
   65    64    69    71   0.33100  1.0 3.0
   65    64    69    75   0.00000  1.0 1.0
   69    75    81    82   0.15000  1.0 3.0
   69    75    81    83   0.15000  1.0 3.0
   69    75    81    88  -1.63150  1.0 1.0
   69    75    81    88  -0.43550 -1.0 2.0
   69    75    81    88   0.24500  1.0 3.0
   70    69    75    76   0.15000  1.0 3.0
   70    69    75    77   0.15000  1.0 3.0
   70    69    75    81   0.15000  1.0 3.0
   71    69    75    76   0.15000  1.0 3.0
   71    69    75    77   0.15000  1.0 3.0
   71    69    75    81   0.15000  1.0 3.0
   75    81    88    89   0.41150 -1.0 2.0
   75    81    88    90   0.41150 -1.0 2.0
   76    75    81    82   0.15000  1.0 3.0
   76    75    81    83   0.15000  1.0 3.0
   76    75    81    88  -0.11250  1.0 3.0
   77    75    81    82   0.15000  1.0 3.0
   77    75    81    83   0.15000  1.0 3.0
   77    75    81    88  -0.11250  1.0 3.0
   82    81    88    89   0.00000  1.0 1.0
   82    81    88    90   0.00000  1.0 1.0
   83    81    88    89   0.00000  1.0 1.0
   83    81    88    90   0.00000  1.0 1.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    44   0.34400  1.0 1.0
   41    33    38    44   0.09450 -1.0 2.0
   41    33    38    44   0.11100  1.0 3.0
   41    46    50    51   7.00000 -1.0 2.0
   41    46    50    55   7.00000 -1.0 2.0
   42    41    46    47   0.00000  1.0 1.0
   42    41    46    50   0.39000  1.0 1.0
   42    41    46    50  -0.05800 -1.0 2.0
   42    41    46    50  -0.55150  1.0 3.0
   43    41    46    47   0.33100  1.0 3.0
   43    41    46    50   0.00000  1.0 1.0
   46    50    55    56   0.00000  1.0 1.0
   46    50    55    59   0.09850  1.0 1.0
   46    50    55    59   0.15250 -1.0 2.0
   46    50    55    59  -0.50650  1.0 3.0
   46    50    55    62   0.67800  1.0 1.0
   46    50    55    62   0.47050 -1.0 2.0
   46    50    55    62  -0.62500  1.0 3.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    55   7.00000 -1.0 2.0
   50    55    59    60   0.15000  1.0 3.0
   50    55    59    61   0.15000  1.0 3.0
   50    55    59    66   0.34400  1.0 1.0
   50    55    59    66   0.09450 -1.0 2.0
   50    55    59    66   0.11100  1.0 3.0
   50    55    62    63  -0.07800  1.0 1.0
   50    55    62    63  -0.21500 -1.0 2.0
   50    55    62    63  -0.03150  1.0 3.0
   51    50    55    56   0.33100  1.0 3.0
   51    50    55    59   0.00000  1.0 1.0
   51    50    55    62   0.00000  1.0 1.0
   55    59    66    67   0.15000  1.0 3.0
   55    59    66    68   0.15000  1.0 3.0
   55    59    66    72   0.56750  1.0 1.0
   55    59    66    72  -0.07550 -1.0 2.0
   55    59    66    72   0.20000  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    66   0.15000  1.0 3.0
   56    55    62    63   0.19450  1.0 3.0
   59    55    62    63  -0.11600  1.0 1.0
   59    55    62    63  -0.09450 -1.0 2.0
   59    55    62    63   0.21250  1.0 3.0
   59    66    72    73   0.15000  1.0 3.0
   59    66    72    74   0.15000  1.0 3.0
   59    66    72    78   0.56750  1.0 1.0
   59    66    72    78  -0.07550 -1.0 2.0
   59    66    72    78   0.20000  1.0 3.0
   60    59    66    67   0.15000  1.0 3.0
   60    59    66    68   0.15000  1.0 3.0
   60    59    66    72   0.15000  1.0 3.0
   61    59    66    67   0.15000  1.0 3.0
   61    59    66    68   0.15000  1.0 3.0
   61    59    66    72   0.15000  1.0 3.0
   66    72    78    79   0.15000  1.0 3.0
   66    72    78    80   0.15000  1.0 3.0
   66    72    78    84   0.56750  1.0 1.0
   66    72    78    84  -0.07550 -1.0 2.0
   66    72    78    84   0.20000  1.0 3.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   67    66    72    78   0.15000  1.0 3.0
   68    66    72    73   0.15000  1.0 3.0
   68    66    72    74   0.15000  1.0 3.0
   68    66    72    78   0.15000  1.0 3.0
   72    78    84    85   0.15000  1.0 3.0
   72    78    84    86   0.15000  1.0 3.0
   72    78    84    87   0.15000  1.0 3.0
   73    72    78    79   0.15000  1.0 3.0
   73    72    78    80   0.15000  1.0 3.0
   73    72    78    84   0.15000  1.0 3.0
   74    72    78    79   0.15000  1.0 3.0
   74    72    78    80   0.15000  1.0 3.0
   74    72    78    84   0.15000  1.0 3.0
   79    78    84    85   0.15000  1.0 3.0
   79    78    84    86   0.15000  1.0 3.0
   79    78    84    87   0.15000  1.0 3.0
   80    78    84    85   0.15000  1.0 3.0
   80    78    84    86   0.15000  1.0 3.0
   80    78    84    87   0.15000  1.0 3.0
   62    55    59    60   0.23400  1.0 3.0
   62    55    59    61   0.23400  1.0 3.0
   62    55    59    66   0.86500  1.0 1.0
   62    55    59    66  -0.17500 -1.0 2.0
   62    55    59    66   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    45    44    48  15.00000 -1.0 2.0
   52    49    48    44  15.00000 -1.0 2.0
   52    58    57    64  15.00000 -1.0 2.0
   69    65    64    57  15.00000 -1.0 2.0
   89    81    88    90  10.50000 -1.0 2.0
   41    47    46    50  15.00000 -1.0 2.0
   55    51    50    46  15.00000 -1.0 2.0
END
