* LIGAND DATABASE FILE (OPLS2005)
*
001      88    87    155    227     454
    1     0 S   NP   _N1_     1    28.85434    97.85664   -20.41725
    2     1 S   H    _HN1     2     1.02782    83.04237   -71.87264
    3     1 S   H    _H1_     3     1.02949    76.32088    38.96693
    4     1 S   H    _H2_     4     1.02833    48.79205   166.94620
    5     1 S   CT   _CA1     5     1.50057   158.85304   150.50770
    6     5 S   HC   _HA1     6     1.09594   105.19883    72.22977
    7     5 S   CO3  _C1_     7     1.53673   112.50353   -47.80407
    8     7 S   O2Z  _O11     8     1.26332   115.06697   -45.68698
    9     7 S   O2Z  _O12     9     1.26230   114.83516   133.54728
   10     5 S   CT   _CB1    10     1.53076   107.46046  -170.10656
   11    10 S   HC   HB11    11     1.09815   109.02875   -53.57613
   12    10 S   HC   HB12    12     1.09811   110.60498    62.93848
   13    10 S   CT   _CG1    13     1.52932   112.56420  -174.81265
   14    13 S   HC   HG11    14     1.09618   110.28635   -68.79138
   15    13 S   HC   HG12    15     1.09654   109.93229    50.39610
   16    13 S   C    _CD1    16     1.51741   112.56862   170.56939
   17    16 S   O    _OE1    17     1.22710   123.37876    -0.16669
   18    16 S   N    _N2_    18     1.38604   111.50582  -179.73905
   19    18 S   H    _HN2    19     1.01565   118.95659    -0.15451
   20    18 S   CT1  _CA2    20     1.46226   123.48726   176.86100
   21    20 S   HC   _HA2    21     1.09716   109.35227    -7.45409
   22    20 S   C    _C2_    22     1.53482   108.41769  -123.03961
   23    22 S   O    _O2_    23     1.23028   122.27470  -151.98804
   24    20 S   CT   _CB2    32     1.53155   111.48762   114.81545
   25    24 S   HC   HB21    33     1.09559   109.86400    56.59715
   26    24 S   HC   HB22    34     1.09507   111.01215   175.19711
   27    22 S   N    _N3_    24     1.38337   113.65969    35.32854
   28    27 S   H    _HN3    25     1.01624   119.46831    -3.06944
   29    24 S   S    _SG2    35     1.82423   111.74606   -64.68398
   30    27 S   CT   _CA3    26     1.45253   123.23087   178.05912
   31    30 S   HC   HA31    27     1.09541   107.63303   -63.19741
   32    30 S   HC   HA32    28     1.09562   107.84961    53.26775
   33    29 S   OS   _O35    36     1.66924    98.76313   163.61963
   34    30 S   CO3  _C3_    29     1.52933   114.03860   175.19894
   35    34 S   O2Z  _O31    30     1.26373   116.03923     2.73724
   36    34 S   O2Z  _O32    31     1.26419   114.43402  -177.23049
   37    33 S   CT   _C19    37     1.43347   114.97874   -90.37435
   38    37 S   HC   _H3_    38     1.09797   110.24657    36.43979
   39    37 S   CM   _C18    39     1.50845   109.66007   -85.72249
   40    39 S   HC   _H26    40     1.08756   116.97243   -58.13279
   41    37 S   CT   _C20    77     1.53707   108.23963   154.37414
   42    41 S   HC   _H27    78     1.09745   109.81277   172.77295
   43    41 S   HC   _H28    79     1.09793   109.86648    54.73047
   44    39 S   CM   _C17    41     1.34197   122.73623   122.32008
   45    44 S   HC   _H25    42     1.08408   118.77280    -0.71217
   46    41 S   CT   _C21    80     1.53304   111.81750   -65.89145
   47    46 S   HC   _H29    81     1.09663   109.95711    60.46121
   48    46 S   HC   _H30    82     1.09682   109.38846   -56.67198
   49    44 S   CM   _C16    43     1.44294   123.56892   178.64217
   50    49 S   HC   _H24    44     1.08865   116.33570    -1.01991
   51    46 S   CT   _C22    83     1.52524   111.41935  -177.96635
   52    51 S   HC   _H31    84     1.09710   109.51496    57.87420
   53    51 S   HC   _H32    85     1.09705   109.44637   -59.53069
   54    49 S   CM   _C15    45     1.34260   126.21949  -180.00000
   55    54 S   HC   _H23    46     1.08985   116.69644   179.11552
   56    51 S   CO3  _C23    86     1.53213   115.05706   178.99751
   57    56 S   O2Z  _O34    87     1.26520   114.02672   177.58987
   58    56 S   O2Z  _O33    88     1.26136   116.65418    -2.55275
   59    54 S   CT   _C14    47     1.50539   128.40334    -1.96901
   60    59 S   HC   _H21    48     1.09721   107.56358  -132.43596
   61    59 S   HC   _H22    49     1.09164   111.51416   -17.18382
   62    59 S   CM   _C13    50     1.50168   111.54774   109.21136
   63    62 S   HC   _H20    51     1.08990   115.31857    51.79171
   64    62 S   CM   _C12    52     1.34303   128.15947  -130.25815
   65    64 S   HC   _H19    53     1.08997   116.43099  -177.90576
   66    64 S   CT   _C11    54     1.50291   128.31777    -0.41259
   67    66 S   HC   _H17    55     1.09686   107.72229  -112.95283
   68    66 S   HC   _H18    56     1.09067   111.97808     3.18075
   69    66 S   CM   _C10    57     1.50337   111.63420   129.27378
   70    69 S   HC   _H16    58     1.08984   115.10945    61.79301
   71    69 S   CM   _C9_    59     1.34223   128.24631  -119.76612
   72    71 S   HC   _H15    60     1.08925   116.99295  -179.47961
   73    71 S   CT   _C8_    61     1.49992   127.87099     1.66366
   74    73 S   HC   _H13    62     1.09653   107.33943   119.43690
   75    73 S   HC   _H14    63     1.09255   112.07697     2.98426
   76    73 S   CT   _C7_    64     1.53159   113.39226  -120.86668
   77    76 S   HC   _H11    65     1.09721   108.13256  -171.30760
   78    76 S   HC   _H12    66     1.09716   110.03144   -55.14040
   79    76 S   CT   _C6_    67     1.53102   112.95456    67.91289
   80    79 S   HC   _H9_    68     1.09581   109.55530    53.84674
   81    79 S   HC   _H10    69     1.09626   110.08009   -63.62377
   82    79 S   CT   _C5_    70     1.52900   111.15899   175.09611
   83    82 S   HC   _H7_    71     1.09617   109.77151    60.90410
   84    82 S   HC   _H8_    72     1.09580   110.01892   -56.76064
   85    82 S   CT   _C4_    73     1.51993   111.51164  -177.89922
   86    85 S   HC   _H4_    74     1.09455   110.99007    60.73435
   87    85 S   HC   _H5_    75     1.09441   110.24518  -179.54716
   88    85 S   HC   _H6_    76     1.09460   111.01857   -59.79159
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
   9   2   1   1  13   7  10   4  10   5   4   6   3   8   5   4
   7   3   5   4   3   7   4   2   1   1   7   4   3   7   3   7
   4   7   4   3   7   3   8   4   9   5   4   9   5   4   9   5
   4   6   5   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    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    44    41    42    43    46  
   35    36  
   36  
    0  
   38    39    40    44    45    49    41    42    43    46    47    48    51  
   39    40    44    41    42    43    46  
   40    44    45    49    50    54    41    42    43    46  
   44    45    49    41  
   42    43    46    47    48    51    52    53    56    44  
   43    46    47    48    51  
   46    47    48    51  
   45    49    50    54    55    59  
   49    50    54  
   47    48    51    52    53    56    57    58  
   48    51    52    53    56  
   51    52    53    56  
   50    54    55    59    60    61    62  
   54    55    59  
   52    53    56    57    58  
   53    56    57    58  
   56    57    58  
   55    59    60    61    62    63    64  
   59    60    61    62  
   57    58  
   58  
    0  
   60    61    62    63    64    65    66  
   61    62    63    64  
   62    63    64  
   63    64    65    66    67    68    69  
   64    65    66  
   65    66    67    68    69    70    71  
   66    67    68    69  
   67    68    69    70    71    72    73  
   68    69    70    71  
   69    70    71  
   70    71    72    73    74    75    76  
   71    72    73  
   72    73    74    75    76    77    78    79  
   73    74    75    76  
   74    75    76    77    78    79    80    81    82  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80    81    82    83    84    85  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82    83    84    85    86    87    88  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85    86    87    88  
   84    85    86    87    88  
   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   0.047500   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   2.9000   0.1400  -0.415000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   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   655.000  1.490
   33    37   320.000  1.410
   37    38   340.000  1.090
   37    39   317.000  1.510
   37    41   268.000  1.529
   39    40   340.000  1.080
   39    44   549.000  1.340
   44    45   340.000  1.080
   44    49   380.000  1.444
   49    50   340.000  1.080
   49    54   549.000  1.340
   54    55   340.000  1.080
   54    59   317.000  1.510
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   317.000  1.510
   62    63   340.000  1.080
   62    64   549.000  1.340
   64    65   340.000  1.080
   64    66   317.000  1.510
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   317.000  1.510
   69    70   340.000  1.080
   69    71   549.000  1.340
   71    72   340.000  1.080
   71    73   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   317.000  1.522
   56    57   656.000  1.250
   56    58   656.000  1.250
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   110.00000  101.00000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37   100.00000  113.00000
   33    37    38    35.00000  109.50000
   33    37    39    85.00000  110.90400
   33    37    41    50.00000  109.50000
   37    39    40    35.00000  117.00000
   37    39    44    70.00000  124.00000
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    46    58.35000  112.70000
   39    37    38    35.00000  109.50000
   39    44    45    35.00000  120.00000
   39    44    49    70.00000  123.01800
   44    39    40    35.00000  120.00000
   44    49    50    35.00000  120.00000
   44    49    54    70.00000  123.01800
   49    44    45    35.00000  120.00000
   49    54    55    35.00000  120.00000
   49    54    59    70.00000  124.00000
   54    49    50    35.00000  120.00000
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    62    70.00000  110.12100
   59    54    55    35.00000  117.00000
   59    62    63    35.00000  117.00000
   59    62    64    70.00000  124.00000
   61    59    60    33.00000  107.80000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  109.50000
   62    64    65    35.00000  120.00000
   62    64    66    70.00000  124.00000
   64    62    63    35.00000  120.00000
   64    66    67    35.00000  109.50000
   64    66    68    35.00000  109.50000
   64    66    69    70.00000  110.12100
   66    64    65    35.00000  117.00000
   66    69    70    35.00000  117.00000
   66    69    71    70.00000  124.00000
   68    66    67    33.00000  107.80000
   69    66    67    35.00000  109.50000
   69    66    68    35.00000  109.50000
   69    71    72    35.00000  120.00000
   69    71    73    70.00000  124.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  109.50000
   71    73    75    35.00000  109.50000
   71    73    76    70.00000  112.02700
   73    71    72    35.00000  117.00000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   79    82    85    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   82    85    86    37.50000  110.70000
   82    85    87    37.50000  110.70000
   82    85    88    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    37.50000  110.70000
   85    82    84    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   41    37    38    37.50000  110.70000
   41    37    39    70.00000  112.02700
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    51    58.35000  112.70000
   43    41    42    33.00000  107.80000
   46    41    42    37.50000  110.70000
   46    41    43    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    56    70.00000  109.69300
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    56    57    70.00000  117.00000
   51    56    58    70.00000  117.00000
   53    51    52    33.00000  107.80000
   56    51    52    35.00000  109.50000
   56    51    53    35.00000  109.50000
   58    56    57    80.00000  126.00000
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   0.00000  1.0 1.0
   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  -2.50000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.37500  1.0 3.0
   29    33    37    39   0.37500  1.0 3.0
   29    33    37    41   0.37500  1.0 3.0
   33    37    39    40   0.00000  1.0 1.0
   33    37    39    44   0.39000  1.0 1.0
   33    37    39    44  -0.05800 -1.0 2.0
   33    37    39    44  -0.55150  1.0 3.0
   33    37    41    42   0.23400  1.0 3.0
   33    37    41    43   0.23400  1.0 3.0
   33    37    41    46   0.62750  1.0 1.0
   33    37    41    46  -0.30950 -1.0 2.0
   33    37    41    46   0.27300  1.0 3.0
   37    39    44    45   7.00000 -1.0 2.0
   37    39    44    49   7.00000 -1.0 2.0
   37    41    46    47   0.15000  1.0 3.0
   37    41    46    48   0.15000  1.0 3.0
   37    41    46    51   0.56750  1.0 1.0
   37    41    46    51  -0.07550 -1.0 2.0
   37    41    46    51   0.20000  1.0 3.0
   38    37    39    40   0.33100  1.0 3.0
   38    37    39    44   0.00000  1.0 1.0
   38    37    41    42   0.15000  1.0 3.0
   38    37    41    43   0.15000  1.0 3.0
   38    37    41    46   0.15000  1.0 3.0
   39    37    41    42   0.15000  1.0 3.0
   39    37    41    43   0.15000  1.0 3.0
   39    37    41    46   0.34400  1.0 1.0
   39    37    41    46   0.09450 -1.0 2.0
   39    37    41    46   0.11100  1.0 3.0
   39    44    49    50  -0.18600  1.0 3.0
   39    44    49    54   0.28850  1.0 1.0
   39    44    49    54   2.61350 -1.0 2.0
   39    44    49    54   0.78400  1.0 3.0
   40    39    44    45   7.00000 -1.0 2.0
   40    39    44    49   7.00000 -1.0 2.0
   44    49    54    55   7.00000 -1.0 2.0
   44    49    54    59   7.00000 -1.0 2.0
   45    44    49    50   0.00000  1.0 1.0
   45    44    49    54  -0.18600  1.0 3.0
   49    54    59    60   0.00000  1.0 1.0
   49    54    59    61   0.00000  1.0 1.0
   49    54    59    62  -0.28300  1.0 1.0
   49    54    59    62   0.26700 -1.0 2.0
   49    54    59    62  -0.63300  1.0 3.0
   50    49    54    55   7.00000 -1.0 2.0
   50    49    54    59   7.00000 -1.0 2.0
   54    59    62    63   0.00000  1.0 1.0
   54    59    62    64  -0.28300  1.0 1.0
   54    59    62    64   0.26700 -1.0 2.0
   54    59    62    64  -0.63300  1.0 3.0
   55    54    59    60   0.33100  1.0 3.0
   55    54    59    61   0.33100  1.0 3.0
   55    54    59    62   0.00000  1.0 1.0
   59    62    64    65   7.00000 -1.0 2.0
   59    62    64    66   7.00000 -1.0 2.0
   60    59    62    63   0.33100  1.0 3.0
   60    59    62    64   0.00000  1.0 1.0
   61    59    62    63   0.33100  1.0 3.0
   61    59    62    64   0.00000  1.0 1.0
   62    64    66    67   0.00000  1.0 1.0
   62    64    66    68   0.00000  1.0 1.0
   62    64    66    69  -0.28300  1.0 1.0
   62    64    66    69   0.26700 -1.0 2.0
   62    64    66    69  -0.63300  1.0 3.0
   63    62    64    65   7.00000 -1.0 2.0
   63    62    64    66   7.00000 -1.0 2.0
   64    66    69    70   0.00000  1.0 1.0
   64    66    69    71  -0.28300  1.0 1.0
   64    66    69    71   0.26700 -1.0 2.0
   64    66    69    71  -0.63300  1.0 3.0
   65    64    66    67   0.33100  1.0 3.0
   65    64    66    68   0.33100  1.0 3.0
   65    64    66    69   0.00000  1.0 1.0
   66    69    71    72   7.00000 -1.0 2.0
   66    69    71    73   7.00000 -1.0 2.0
   67    66    69    70   0.33100  1.0 3.0
   67    66    69    71   0.00000  1.0 1.0
   68    66    69    70   0.33100  1.0 3.0
   68    66    69    71   0.00000  1.0 1.0
   69    71    73    74   0.00000  1.0 1.0
   69    71    73    75   0.00000  1.0 1.0
   69    71    73    76   0.09850  1.0 1.0
   69    71    73    76   0.15250 -1.0 2.0
   69    71    73    76  -0.50650  1.0 3.0
   70    69    71    72   7.00000 -1.0 2.0
   70    69    71    73   7.00000 -1.0 2.0
   71    73    76    77   0.15000  1.0 3.0
   71    73    76    78   0.15000  1.0 3.0
   71    73    76    79   0.34400  1.0 1.0
   71    73    76    79   0.09450 -1.0 2.0
   71    73    76    79   0.11100  1.0 3.0
   72    71    73    74   0.33100  1.0 3.0
   72    71    73    75   0.33100  1.0 3.0
   72    71    73    76   0.00000  1.0 1.0
   73    76    79    80   0.15000  1.0 3.0
   73    76    79    81   0.15000  1.0 3.0
   73    76    79    82   0.56750  1.0 1.0
   73    76    79    82  -0.07550 -1.0 2.0
   73    76    79    82   0.20000  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79   0.15000  1.0 3.0
   76    79    82    83   0.15000  1.0 3.0
   76    79    82    84   0.15000  1.0 3.0
   76    79    82    85   0.56750  1.0 1.0
   76    79    82    85  -0.07550 -1.0 2.0
   76    79    82    85   0.20000  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82   0.15000  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81   0.15000  1.0 3.0
   78    76    79    82   0.15000  1.0 3.0
   79    82    85    86   0.15000  1.0 3.0
   79    82    85    87   0.15000  1.0 3.0
   79    82    85    88   0.15000  1.0 3.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   80    79    82    85   0.15000  1.0 3.0
   81    79    82    83   0.15000  1.0 3.0
   81    79    82    84   0.15000  1.0 3.0
   81    79    82    85   0.15000  1.0 3.0
   83    82    85    86   0.15000  1.0 3.0
   83    82    85    87   0.15000  1.0 3.0
   83    82    85    88   0.15000  1.0 3.0
   84    82    85    86   0.15000  1.0 3.0
   84    82    85    87   0.15000  1.0 3.0
   84    82    85    88   0.15000  1.0 3.0
   41    37    39    40   0.00000  1.0 1.0
   41    37    39    44   0.09850  1.0 1.0
   41    37    39    44   0.15250 -1.0 2.0
   41    37    39    44  -0.50650  1.0 3.0
   41    46    51    52   0.15000  1.0 3.0
   41    46    51    53   0.15000  1.0 3.0
   41    46    51    56  -1.63150  1.0 1.0
   41    46    51    56  -0.43550 -1.0 2.0
   41    46    51    56   0.24500  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    48   0.15000  1.0 3.0
   42    41    46    51   0.15000  1.0 3.0
   43    41    46    47   0.15000  1.0 3.0
   43    41    46    48   0.15000  1.0 3.0
   43    41    46    51   0.15000  1.0 3.0
   46    51    56    57   0.41150 -1.0 2.0
   46    51    56    58   0.41150 -1.0 2.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    56  -0.11250  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    56  -0.11250  1.0 3.0
   52    51    56    57   0.00000  1.0 1.0
   52    51    56    58   0.00000  1.0 1.0
   53    51    56    57   0.00000  1.0 1.0
   53    51    56    58   0.00000  1.0 1.0
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
   37    40    39    44  15.00000 -1.0 2.0
   49    45    44    39  15.00000 -1.0 2.0
   44    50    49    54  15.00000 -1.0 2.0
   59    55    54    49  15.00000 -1.0 2.0
   59    63    62    64  15.00000 -1.0 2.0
   66    65    64    62  15.00000 -1.0 2.0
   66    70    69    71  15.00000 -1.0 2.0
   73    72    71    69  15.00000 -1.0 2.0
   57    51    56    58  10.50000 -1.0 2.0
END
