* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    163    240     480
    1     0 S   NP   _N1_     1    28.75565    94.94843   -24.30158
    2     1 S   H    _HN1     2     1.02772   109.08433   -82.97255
    3     1 S   H    _H1_     3     1.02965    80.94156    23.41379
    4     1 S   H    _H2_     4     1.02831    27.54220  -175.35953
    5     1 S   CT   _CA1     5     1.50153   130.08265   132.41808
    6     5 S   HC   _HA1     6     1.09581   105.18021    82.06406
    7     5 S   CO3  _C1_     7     1.53757   112.41677   -37.96746
    8     7 S   O2Z  _O11     8     1.26353   114.98710   -42.24075
    9     7 S   O2Z  _O12     9     1.26245   114.91131   136.76979
   10     5 S   CT   _CB1    10     1.53088   107.38465  -160.15265
   11    10 S   HC   HB11    11     1.09824   109.13615   -51.50303
   12    10 S   HC   HB12    12     1.09816   110.46389    64.97486
   13    10 S   CT   _CG1    13     1.53019   112.78190  -172.68622
   14    13 S   HC   HG11    14     1.09598   110.38795   -66.39631
   15    13 S   HC   HG12    15     1.09661   109.98932    52.80924
   16    13 S   C    _CD1    16     1.51855   112.35692   172.96994
   17    16 S   O    _OE1    17     1.22726   123.24976    -2.65137
   18    16 S   N    _N2_    18     1.38640   111.66316   178.01160
   19    18 S   H    _HN2    19     1.01574   119.00366     0.61517
   20    18 S   CT1  _CA2    20     1.46197   123.41737   178.71412
   21    20 S   HC   _HA2    21     1.09740   109.42499    -3.14348
   22    20 S   C    _C2_    22     1.53503   108.29429  -118.65587
   23    22 S   O    _O2_    23     1.23034   122.25814  -144.25835
   24    20 S   CT   _CB2    32     1.53394   111.69457   118.93229
   25    24 S   HC   HB21    33     1.09516   109.91132    55.84003
   26    24 S   HC   HB22    34     1.09513   109.95076   174.89366
   27    22 S   N    _N3_    24     1.38516   113.48414    43.01799
   28    27 S   H    _HN3    25     1.01496   118.97115    -0.32746
   29    24 S   S    _SG2    35     1.82638   111.64728   -65.14048
   30    27 S   CT   _CA3    26     1.45445   123.39514   175.28682
   31    30 S   HC   HA31    27     1.09526   109.18561    25.64838
   32    30 S   HC   HA32    28     1.09495   107.13728   142.63300
   33    29 S   CT   _C21    36     1.83852   100.08665  -170.26431
   34    33 S   HC   _H5_    37     1.09652   105.11860    51.41771
   35    30 S   CO3  _C3_    29     1.52921   113.13298   -97.80078
   36    35 S   O2Z  _O31    30     1.26400   115.40621   -44.86003
   37    35 S   O2Z  _O32    31     1.26356   114.98459   136.07930
   38    33 S   CM   _C7_    38     1.53611   110.28491   167.38613
   39    33 S   CT   _C22    85     1.53045   112.46062   -64.01870
   40    39 S   HC   _H27    86     1.09443   112.97180   -50.37908
   41    39 S   HC   _H28    87     1.09612   110.69125  -171.60674
   42    39 S   HC   _H29    88     1.09536   110.92582    70.23343
   43    38 S   CMA  _C8_    39     1.36981   125.78349    72.76692
   44    43 S   OM   _O38    40     1.26781   126.11980    -1.78575
   45    38 S   CT   _C6_    72     1.52822   113.36980  -111.71934
   46    45 S   HC   _H9_    73     1.09196   108.97420  -144.12723
   47    45 S   HC   _H10    74     1.09928   108.08997   -34.05249
   48    43 S   OS   _O33    41     1.42051   111.51149  -177.82759
   49    48 S   CT   _C9_    42     1.43304   115.57295  -129.06797
   50    49 S   HC   _H4_    43     1.09886   111.84412    19.94012
   51    49 S   CO4  _C15    44     1.53189   104.35727   135.03183
   52    51 S   O    _O34    45     1.23245   121.40747   -98.30436
   53    49 S   CT   _C10    56     1.53090   109.28473  -102.48061
   54    53 S   HC   _H11    57     1.09705   109.25075    57.06684
   55    53 S   HC   _H12    58     1.09636   111.14756   -57.01260
   56    51 S   CM   _C14    46     1.49091   119.53928    76.95777
   57    56 S   CM   _C13    47     1.34614   120.65217    75.86162
   58    57 S   HC   _H17    48     1.09133   116.25928   178.62712
   59    56 S   CT   _C16    63     1.50887   118.40368  -107.71265
   60    59 S   HC   _H18    64     1.09690   109.62116   140.89105
   61    59 S   HC   _H19    65     1.09608   109.16753   -99.37124
   62    57 S   CT   _C12    49     1.50989   131.73039     1.00619
   63    62 S   HC   _H15    50     1.09912   104.29437   119.01589
   64    62 S   HC   _H16    51     1.09814   108.78831  -128.68858
   65    59 S   OS   _O35    66     1.43548   111.48846    19.67868
   66    62 S   NT   _N4_    52     1.46734   117.95702    -1.93259
   67    65 S   CO4  _C17    67     1.36172   116.82438   166.16097
   68    67 S   O    _O36    68     1.22628   124.95529     0.82945
   69    66 S   CT   _C11    53     1.47247   112.70454   -83.43378
   70    69 S   HC   _H13    54     1.09815   110.58453   -61.57831
   71    69 S   HC   _H14    55     1.09824   108.67025  -178.06104
   72    66 S   CT   _C20    59     1.46671   110.33272   154.10672
   73    72 S   HC   _H24    60     1.09588   110.71992  -177.91869
   74    72 S   HC   _H25    61     1.09606   112.08493    60.83554
   75    72 S   HC   _H26    62     1.09586   110.64505   -60.38118
   76    67 S   CT   _C18    69     1.53718   111.40900   179.01245
   77    76 S   CT   _C5_    70     1.56200   114.50081    48.50972
   78    77 S   HC   _H3_    71     1.10066   106.82754   162.75541
   79    76 S   CT   _C19    79     1.53087   108.96547   -80.00051
   80    79 S   HC   _H20    80     1.09564   110.79949  -176.95059
   81    79 S   HC   _H21    81     1.09438   112.39074    60.97188
   82    79 S   HC   _H22    82     1.09677   110.82970   -58.94971
   83    76 S   OH   _O37    83     1.43729   105.81012   165.56729
   84    83 S   HO   _H23    84     0.97315   108.02363    56.91133
   85    77 S   CT   _C4_    75     1.53933   110.62752    49.08779
   86    85 S   HC   _H6_    76     1.09342   112.21237   -68.90504
   87    85 S   HC   _H7_    77     1.09301   111.51615   169.93229
   88    85 S   HC   _H8_    78     1.09539   110.93847    51.46107
  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   9   5   4   3
  13   7   2   1   1  15   5   2   1   1  10   3  13   5   4   9
  13   7  13   4   9   5   4  11  11   5   7   3   2  10   4   3
   6   7  11   4   6   2   1   3   2   1   1  12  11   6   6   3
   2   1   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    48    77    45    46    47    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    48    49    76    77    78    45    46    47    85    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    48    49    50    51    53    77    45    46    47  
   48    49    45  
   46    47    85    86    87    88    79    83    48    67    76    77    78  
   47    85    76    77    78  
   85    76    77    78  
   49    50    51    52    56    69    53    54    55  
   50    51    52    56    57    66    69    70    71    53    54    55    59  
   51    52    56    69    53    54    55  
   52    56    57    58    62    69    53    54    55    59    60    61    65  
   56    57    53    59  
   54    55    72    56    62    66    69    70    71  
   55    66    69    70    71  
   66    69    70    71  
   57    58    62    63    64    66    59    60    61    65    67  
   58    62    63    64    66    69    72    59    60    61    65  
   62    63    64    66    59  
   60    61    65    67    68    76    62  
   61    65    67  
   65    67  
   63    64    66    69    70    71    72    73    74    75  
   64    66    69    72  
   66    69    72  
   67    68    76    77    79    83  
   69    70    71    72    73    74    75  
   68    76    77    78    85    79    80    81    82    83    84  
   76    77    79    83  
   70    71    72    73    74    75  
   71    72  
   72  
   73    74    75  
   74    75  
   75  
    0  
   77    78    85    86    87    88    79    80    81    82    83    84  
   78    85    86    87    88    79    80    81    82    83    84  
   85    86    87    88    79    83  
   80    81    82    83    84    85  
   81    82    83  
   82    83  
   83  
   84    85  
    0  
   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  -0.335000   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.7500   0.1050   0.422000   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   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   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   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   66   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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    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   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    48   440.000  1.360
   48    49   320.000  1.410
   49    50   340.000  1.090
   49    51   317.000  1.522
   49    53   268.000  1.529
   51    52   570.000  1.229
   51    56   320.000  1.462
   56    57   549.000  1.340
   56    59   317.000  1.510
   57    58   340.000  1.080
   57    62   317.000  1.510
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    66   382.000  1.448
   66    69   382.000  1.448
   66    72   382.000  1.448
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   320.000  1.410
   65    67   214.000  1.327
   67    68   570.000  1.229
   67    76   317.000  1.522
   76    77   268.000  1.529
   76    79   268.000  1.529
   76    83   320.000  1.410
   77    78   340.000  1.090
   77    45   268.000  1.529
   77    85   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    48    80.00000  120.01400
   38    45    77    70.00000  112.02700
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   43    48    49    90.00000  111.18400
   48    43    44    65.00000  121.00000
   48    49    50    35.00000  109.50000
   48    49    51    90.00000  108.74100
   48    49    53    50.00000  109.50000
   49    51    52    80.00000  120.40000
   49    51    56    65.00000  118.62400
   49    53    69    58.35000  112.70000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   51    49    50    35.00000  109.50000
   51    56    57    65.00000  118.96000
   51    56    59    65.00000  116.34900
   56    51    52    80.00000  123.72100
   56    57    58    35.00000  120.00000
   56    57    62    70.00000  124.00000
   56    59    60    35.00000  109.50000
   56    59    61    35.00000  109.50000
   56    59    65    85.00000  110.90400
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    66    75.00000  110.70900
   62    57    58    35.00000  117.00000
   62    66    69    51.80000  107.20000
   62    66    72    51.80000  107.20000
   64    62    63    33.00000  107.80000
   66    62    63    35.00000  109.50000
   66    62    64    35.00000  109.50000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    53    56.20000  109.47000
   66    72    73    35.00000  109.50000
   66    72    74    35.00000  109.50000
   66    72    75    35.00000  109.50000
   69    53    54    37.50000  110.70000
   69    53    55    37.50000  110.70000
   71    69    70    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    63.00000  111.10000
   53    69    70    37.50000  110.70000
   53    69    71    37.50000  110.70000
   55    53    54    33.00000  107.80000
   72    66    69    51.80000  107.20000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   59    56    57    70.00000  124.00000
   59    65    67    83.00000  116.90000
   61    59    60    33.00000  107.80000
   65    59    60    35.00000  109.50000
   65    59    61    35.00000  109.50000
   65    67    68    83.00000  123.40000
   65    67    76    81.00000  111.40000
   67    76    77    63.00000  111.10000
   67    76    79    63.00000  111.10000
   67    76    83    90.00000  109.61100
   76    67    68    80.00000  120.40000
   76    77    78    37.50000  110.70000
   76    77    45    58.35000  112.70000
   76    77    85    58.35000  112.70000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    37.50000  110.70000
   76    83    84    55.00000  108.50000
   77    45    46    37.50000  110.70000
   77    45    47    37.50000  110.70000
   77    85    86    37.50000  110.70000
   77    85    87    37.50000  110.70000
   77    85    88    37.50000  110.70000
   45    38    43    70.00000  124.00000
   45    77    78    37.50000  110.70000
   47    45    46    33.00000  107.80000
   85    77    78    37.50000  110.70000
   85    77    45    58.35000  112.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   79    76    77    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    76    77    50.00000  109.50000
   83    76    79    50.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    38    45    77   0.46850  1.0 1.0
   33    38    45    77   0.08550 -1.0 2.0
   33    38    45    77   0.09800  1.0 3.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    48    49  -2.26850  1.0 1.0
   38    43    48    49   3.39050 -1.0 2.0
   43    38    45    77   0.09850  1.0 1.0
   43    38    45    77   0.15250 -1.0 2.0
   43    38    45    77  -0.50650  1.0 3.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    48    49    50   0.08050  1.0 3.0
   43    48    49    51  -0.48150  1.0 1.0
   43    48    49    51   0.09250 -1.0 2.0
   43    48    49    51  -0.12850  1.0 3.0
   43    48    49    53  -0.46850  1.0 1.0
   43    48    49    53   0.09300 -1.0 2.0
   43    48    49    53  -0.12850  1.0 3.0
   44    43    48    49   2.00000 -1.0 2.0
   48    49    51    52   0.30150 -1.0 2.0
   48    49    51    56   0.65300  1.0 1.0
   48    49    51    56  -0.03850 -1.0 2.0
   48    49    51    56   0.33900  1.0 3.0
   48    49    53    69   0.62750  1.0 1.0
   48    49    53    69  -0.30950 -1.0 2.0
   48    49    53    69   0.27300  1.0 3.0
   48    49    53    54   0.23400  1.0 3.0
   48    49    53    55   0.23400  1.0 3.0
   49    51    56    57  -0.33500  1.0 1.0
   49    51    56    57   1.06600 -1.0 2.0
   49    51    56    57  -0.14000  1.0 3.0
   49    51    56    59   0.25700  1.0 1.0
   49    51    56    59   0.66200 -1.0 2.0
   49    51    56    59   0.04450  1.0 3.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    56   0.00000  1.0 1.0
   50    49    53    69   0.15000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   51    49    53    69  -0.95700  1.0 1.0
   51    49    53    69  -0.18200 -1.0 2.0
   51    49    53    69   0.29450  1.0 3.0
   51    49    53    54  -0.11250  1.0 3.0
   51    49    53    55  -0.11250  1.0 3.0
   51    56    57    58   7.00000 -1.0 2.0
   51    56    57    62   7.00000 -1.0 2.0
   51    56    59    60   0.15000  1.0 3.0
   51    56    59    61   0.15000  1.0 3.0
   51    56    59    65   0.09700  1.0 1.0
   51    56    59    65   0.15600 -1.0 2.0
   51    56    59    65  -0.50800  1.0 3.0
   52    51    56    57   1.00000 -1.0 2.0
   52    51    56    59  -0.64400  1.0 1.0
   52    51    56    59   0.26850 -1.0 2.0
   56    57    62    63   0.00000  1.0 1.0
   56    57    62    64   0.00000  1.0 1.0
   56    57    62    66   0.90200  1.0 1.0
   56    57    62    66   0.57900 -1.0 2.0
   56    57    62    66  -0.62100  1.0 3.0
   56    59    65    67  -0.82050  1.0 1.0
   56    59    65    67   0.00600 -1.0 2.0
   56    59    65    67   0.04400  1.0 3.0
   57    56    59    60   0.00000  1.0 1.0
   57    56    59    61   0.00000  1.0 1.0
   57    56    59    65   0.39000  1.0 1.0
   57    56    59    65  -0.05800 -1.0 2.0
   57    56    59    65  -0.55150  1.0 3.0
   57    62    66    69  -0.60800  1.0 1.0
   57    62    66    69   1.10050 -1.0 2.0
   57    62    66    69   0.47000  1.0 3.0
   57    62    66    72  -0.60800  1.0 1.0
   57    62    66    72   1.10050 -1.0 2.0
   57    62    66    72   0.47000  1.0 3.0
   58    57    62    63   0.33100  1.0 3.0
   58    57    62    64   0.33100  1.0 3.0
   58    57    62    66   0.00000  1.0 1.0
   62    66    69    70   0.28000  1.0 3.0
   62    66    69    71   0.28000  1.0 3.0
   62    66    69    53   0.23450  1.0 1.0
   62    66    69    53   0.02050 -1.0 2.0
   62    66    69    53   0.25250  1.0 3.0
   62    66    72    73   0.28000  1.0 3.0
   62    66    72    74   0.28000  1.0 3.0
   62    66    72    75   0.28000  1.0 3.0
   63    62    66    69   0.28000  1.0 3.0
   63    62    66    72   0.28000  1.0 3.0
   64    62    66    69   0.28000  1.0 3.0
   64    62    66    72   0.28000  1.0 3.0
   66    69    53    49   1.53400  1.0 1.0
   66    69    53    49  -0.09950 -1.0 2.0
   66    69    53    49   0.05700  1.0 3.0
   66    69    53    54   0.15000  1.0 3.0
   66    69    53    55   0.15000  1.0 3.0
   69    66    72    73   0.28000  1.0 3.0
   69    66    72    74   0.28000  1.0 3.0
   69    66    72    75   0.28000  1.0 3.0
   70    69    53    49   0.15000  1.0 3.0
   70    69    53    54   0.15000  1.0 3.0
   70    69    53    55   0.15000  1.0 3.0
   71    69    53    49   0.15000  1.0 3.0
   71    69    53    54   0.15000  1.0 3.0
   71    69    53    55   0.15000  1.0 3.0
   53    49    51    52   0.30150 -1.0 2.0
   53    49    51    56   0.65300  1.0 1.0
   53    49    51    56  -0.03850 -1.0 2.0
   53    49    51    56   0.33900  1.0 3.0
   72    66    69    70   0.28000  1.0 3.0
   72    66    69    71   0.28000  1.0 3.0
   72    66    69    53   0.23450  1.0 1.0
   72    66    69    53   0.02050 -1.0 2.0
   72    66    69    53   0.25250  1.0 3.0
   59    56    57    58   7.00000 -1.0 2.0
   59    56    57    62   7.00000 -1.0 2.0
   59    65    67    68   3.00000 -1.0 2.0
   59    65    67    76   1.63150  1.0 1.0
   59    65    67    76   2.92000 -1.0 2.0
   60    59    65    67   0.08050  1.0 3.0
   61    59    65    67   0.08050  1.0 3.0
   65    67    76    77   0.36750  1.0 3.0
   65    67    76    79   0.36750  1.0 3.0
   65    67    76    83   0.30750  1.0 1.0
   65    67    76    83   1.13850 -1.0 2.0
   65    67    76    83   0.38850  1.0 3.0
   67    76    77    78  -0.11250  1.0 3.0
   67    76    77    45  -0.95700  1.0 1.0
   67    76    77    45  -0.18200 -1.0 2.0
   67    76    77    45   0.29450  1.0 3.0
   67    76    77    85  -0.95700  1.0 1.0
   67    76    77    85  -0.18200 -1.0 2.0
   67    76    77    85   0.29450  1.0 3.0
   67    76    79    80  -0.11250  1.0 3.0
   67    76    79    81  -0.11250  1.0 3.0
   67    76    79    82  -0.11250  1.0 3.0
   67    76    83    84   0.91850  1.0 1.0
   67    76    83    84   0.57950  1.0 3.0
   68    67    76    77   0.30150 -1.0 2.0
   68    67    76    79   0.30150 -1.0 2.0
   68    67    76    83   0.30150 -1.0 2.0
   76    77    45    38   0.34400  1.0 1.0
   76    77    45    38   0.09450 -1.0 2.0
   76    77    45    38   0.11100  1.0 3.0
   76    77    45    46   0.15000  1.0 3.0
   76    77    45    47   0.15000  1.0 3.0
   76    77    85    86   0.15000  1.0 3.0
   76    77    85    87   0.15000  1.0 3.0
   76    77    85    88   0.15000  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
   77    76    83    84  -0.11600  1.0 1.0
   77    76    83    84  -0.09450 -1.0 2.0
   77    76    83    84   0.21250  1.0 3.0
   78    77    45    38   0.15000  1.0 3.0
   78    77    45    46   0.15000  1.0 3.0
   78    77    45    47   0.15000  1.0 3.0
   78    77    85    86   0.15000  1.0 3.0
   78    77    85    87   0.15000  1.0 3.0
   78    77    85    88   0.15000  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    48   7.00000 -1.0 2.0
   45    77    85    86   0.15000  1.0 3.0
   45    77    85    87   0.15000  1.0 3.0
   45    77    85    88   0.15000  1.0 3.0
   85    77    45    38   0.34400  1.0 1.0
   85    77    45    38   0.09450 -1.0 2.0
   85    77    45    38   0.11100  1.0 3.0
   85    77    45    46   0.15000  1.0 3.0
   85    77    45    47   0.15000  1.0 3.0
   79    76    77    78   0.15000  1.0 3.0
   79    76    77    45   0.56750  1.0 1.0
   79    76    77    45  -0.07550 -1.0 2.0
   79    76    77    45   0.20000  1.0 3.0
   79    76    77    85   0.56750  1.0 1.0
   79    76    77    85  -0.07550 -1.0 2.0
   79    76    77    85   0.20000  1.0 3.0
   79    76    83    84  -0.11600  1.0 1.0
   79    76    83    84  -0.09450 -1.0 2.0
   79    76    83    84   0.21250  1.0 3.0
   83    76    77    78   0.23400  1.0 3.0
   83    76    77    45   0.86500  1.0 1.0
   83    76    77    45  -0.17500 -1.0 2.0
   83    76    77    45   0.20800  1.0 3.0
   83    76    77    85   0.86500  1.0 1.0
   83    76    77    85  -0.17500 -1.0 2.0
   83    76    77    85   0.20800  1.0 3.0
   83    76    79    80   0.23400  1.0 3.0
   83    76    79    81   0.23400  1.0 3.0
   83    76    79    82   0.23400  1.0 3.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  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
   33    45    38    43   1.10000 -1.0 2.0
   44    48    43    38   1.10000 -1.0 2.0
   49    56    51    52  10.50000 -1.0 2.0
   51    59    56    57   1.10000 -1.0 2.0
   62    58    57    56   1.10000 -1.0 2.0
   65    76    67    68  10.50000 -1.0 2.0
END
