* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    160    258     477
    1     0 S   NP   _N1_     1    28.74485    98.02562   -23.13872
    2     1 S   H    _HN1     2     1.02788   104.03193   -89.01381
    3     1 S   H    _H1_     3     1.02950    62.24911    14.61181
    4     1 S   H    _H2_     4     1.02829    48.69002   169.33585
    5     1 S   CT   _CA1     5     1.50121   143.11680   102.02678
    6     5 S   HC   _HA1     6     1.09576   105.17945   107.07883
    7     5 S   CO3  _C1_     7     1.53779   112.47672   -13.12962
    8     7 S   O2Z  _O11     8     1.26373   115.00463   -42.23954
    9     7 S   O2Z  _O12     9     1.26242   114.94200   136.84621
   10     5 S   CT   _CB1    10     1.53072   107.40909  -134.95788
   11    10 S   HC   HB11    11     1.09836   109.33035   -49.73087
   12    10 S   HC   HB12    12     1.09813   110.46405    66.86510
   13    10 S   CT   _CG1    13     1.52998   112.62992  -170.70646
   14    13 S   HC   HG11    14     1.09579   110.65541   -66.55892
   15    13 S   HC   HG12    15     1.09673   109.76027    52.68062
   16    13 S   C    _CD1    16     1.51807   112.16437   173.11214
   17    16 S   O    _OE1    17     1.22738   123.25435     8.41573
   18    16 S   N    _N2_    18     1.38649   111.70571  -171.56660
   19    18 S   H    _HN2    19     1.01574   118.96385     1.43409
   20    18 S   CT1  _CA2    20     1.46235   123.42174   177.09458
   21    20 S   HC   _HA2    21     1.09741   109.31305     5.15807
   22    20 S   C    _C2_    22     1.53630   108.72632  -110.29428
   23    22 S   O    _O2_    23     1.23065   122.29331  -148.65885
   24    20 S   CT   _CB2    32     1.53375   111.56338   127.14064
   25    24 S   HC   HB21    33     1.09567   109.99377    56.27174
   26    24 S   HC   HB22    34     1.09394   109.87338   175.29281
   27    22 S   N    _N3_    24     1.38337   113.78319    38.85109
   28    27 S   H    _HN3    25     1.01561   119.58665    -3.29711
   29    24 S   S    _SG2    35     1.82800   111.29354   -64.80034
   30    27 S   CT   _CA3    26     1.45283   123.26179   177.16945
   31    30 S   HC   HA31    27     1.09549   107.51166   -64.67419
   32    30 S   HC   HA32    28     1.09556   107.99489    51.77660
   33    29 S   CT   _C19    36     1.85461   100.06529   169.15728
   34    33 S   HC   _H6_    37     1.10102   101.12759   -49.80640
   35    30 S   CO3  _C3_    29     1.52971   114.05089   173.76480
   36    35 S   O2Z  _O31    30     1.26382   116.06628    -0.88999
   37    35 S   O2Z  _O32    31     1.26428   114.41556   179.17481
   38    33 S   CT   _C20    38     1.57439   115.52174    67.79764
   39    38 S   OM   _O37    39     1.33106   105.84126  -159.28639
   40    38 S   HC   _H7_    40     1.09853   106.55873   -34.63307
   41    38 S   CT   _C12    41     1.60209   112.32976    80.82899
   42    41 S   CM   _C9_    42     1.55544   117.01435   174.53288
   43    41 S   CT   _C13    55     1.57755   108.76230    55.12895
   44    43 S   HC   _H3_    56     1.09988   108.39316    70.85537
   45    41 S   CT   _C22    79     1.56449   107.00588   -70.76135
   46    45 S   HC   _H22    80     1.08760   113.47599    73.86629
   47    45 S   HC   _H23    81     1.09765   110.62722   -47.12871
   48    45 S   HC   _H24    82     1.09294   114.21766  -165.24097
   49    42 S   CM   _C10    43     1.34279   123.44766    16.37168
   50    49 S   HC   _H15    44     1.08339   122.53455     1.33178
   51    43 S   CT   _C17    57     1.53494   116.37377   -53.21845
   52    49 S   CO4  _C11    45     1.46875   122.05836  -177.73670
   53    52 S   O    _O33    46     1.22620   120.97413   179.42973
   54    51 S   CO4  _C16    58     1.51630    99.72741   -83.96851
   55    54 S   O    _O36    59     1.22062   126.69634   156.96871
   56    33 S   CT   _C18    61     1.54826   111.40889  -161.47460
   57    56 S   HC   _H5_    62     1.09986   103.97671   151.05777
   58    51 S   CT   _C21    65     1.55448   112.08705   165.32020
   59    58 S   HC   _H19    66     1.09572   110.89564   -58.48148
   60    58 S   HC   _H20    67     1.09644   111.04320  -178.40419
   61    58 S   HC   _H21    68     1.09487   113.27975    62.74212
   62    52 S   OS   _O34    47     1.35975   116.65973    -0.03956
   63    81 S   OS   _O35    60     1.44219   112.26212  -131.15416
   64    56 S   OH   _O38    63     1.42912   111.97739    40.15308
   65    64 S   HO   _H18    64     0.97384   106.89806   -62.70582
   66    62 S   CM   _C7_    48     1.42019   122.01743    -3.66164
   67    42 S   CM   _C8_    49     1.47123   117.31155  -164.73044
   68    66 S   CT   _C5_    69     1.51880   112.41816  -174.33583
   69    68 S   HC   _H11    70     1.09437   110.60651   166.81259
   70    67 S   CT   _C15    50     1.51888   118.05599    -3.90319
   71    70 S   HC   _H16    51     1.09618   109.94040   154.64378
   72    70 S   HC   _H17    52     1.09679   109.27911   -90.64024
   73    68 S   CT   _C4_    71     1.52932   110.38224   -74.11518
   74    73 S   HC   _H8_    72     1.09580   111.68058    62.26989
   75    73 S   HC   _H9_    73     1.09571   110.94783   -58.21313
   76    73 S   HC   _H10    74     1.09540   110.64542  -177.67586
   77    68 S   CT   _C6_    75     1.53274   111.63400    49.27678
   78    77 S   HC   _H12    76     1.09563   111.95624   -65.16926
   79    77 S   HC   _H13    77     1.09560   110.45826   175.04006
   80    77 S   HC   _H14    78     1.09561   110.92715    55.66890
   81    70 S   CT   _C14    53     1.52991   115.79677    34.91488
   82    81 S   HC   _H4_    54     1.09703   107.50656   111.56857
  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
  15   8   2   1   1  17   6   5  20  19  23   9   7   2   1   1
   7   4  14   5   2  12   4   9   3   6   2   1   1   7   6   1
   1  15   9  10   8   4   3   2   7   3   2   1   3   2   1   1
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    51    56    57    64  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    51    54    56    57    64    65    58    45  
   38    39    40    41    51    56    57    64  
   36    37  
   37  
    0  
   39    40    41    42    49    67    81    43    44    51    56    57    64    45    46    47    48  
   40    41    42    43    56    45  
   41    42    43    56    45  
   42    49    50    52    66    67    70    81    82    43    44    51    54    63    56    58    45    46    47    48  
   49    50    52    53    62    66    67    70    71    72    81    43    44    51    68    45    46    47    48  
   44    51    54    55    63    56    57    64    58    59    60    61    45    46    47    48    49    67    70    71    72    81    82  
   51    54    63    56    58    45    70    81    82  
   46    47    48    49    51    67    81  
   47    48  
   48  
    0  
   50    52    53    62    66    67    70  
   52    53    62    67  
   54    55    63    56    57    64    65    58    59    60    61    70    81    82  
   53    62    66    67    68  
   62    66  
   55    63    56    57    64    58    59    60    61    70    81    82  
   63    56    58    81  
   57    64    65    58    59    60    61    63    81  
   64    65    58  
   59    60    61    63    64    81  
   60    61  
   61  
    0  
   66    67    70    68    69    73    77  
   67    70    71    72    81    82  
   65  
    0  
   67    70    71    72    81    68    69    73    74    75    76    77    78    79    80  
   70    71    72    81    82    68    69    73    77  
   69    73    74    75    76    77    78    79    80    70  
   73    74    75    76    77    78    79    80  
   71    72    81    82  
   72    81    82  
   81    82  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
   82  
    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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   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   2.5000   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    56   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   317.000  1.510
   41    43   268.000  1.529
   41    45   268.000  1.529
   42    49   549.000  1.340
   42    67   380.000  1.444
   49    50   340.000  1.080
   49    52   320.000  1.462
   52    53   570.000  1.229
   52    62   214.000  1.327
   62    66   440.000  1.360
   66    67   549.000  1.340
   66    68   317.000  1.510
   67    70   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    81   268.000  1.529
   81    82   340.000  1.090
   81    43   268.000  1.529
   81    63   320.000  1.410
   43    44   340.000  1.090
   43    51   268.000  1.529
   51    54   317.000  1.522
   51    56   268.000  1.529
   51    58   268.000  1.529
   54    55   570.000  1.229
   54    63   214.000  1.327
   56    57   340.000  1.090
   56    64   320.000  1.410
   64    65   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   68    69   340.000  1.090
   68    73   268.000  1.529
   68    77   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    56    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    56    51    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    64    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    70.00000  112.02700
   38    41    43    58.35000  112.70000
   38    41    45    58.35000  112.70000
   40    38    39    45.00000  125.66300
   41    38    39    50.00000  109.50000
   41    38    40    37.50000  110.70000
   41    42    49    70.00000  124.00000
   41    42    67    70.00000  124.00000
   41    43    81    58.35000  112.70000
   41    43    44    37.50000  110.70000
   41    43    51    58.35000  112.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   42    49    50    35.00000  120.00000
   42    49    52    65.00000  118.96000
   42    67    66    70.00000  123.01800
   42    67    70    70.00000  124.00000
   49    52    53    80.00000  123.72100
   49    52    62    90.00000  111.29400
   52    49    50    40.00000  117.72500
   52    62    66    90.00000  114.22900
   62    52    53    83.00000  123.40000
   62    66    67    80.00000  120.01400
   62    66    68    85.00000  112.85300
   66    67    70    70.00000  124.00000
   66    68    69    35.00000  109.50000
   66    68    73    70.00000  112.02700
   66    68    77    70.00000  112.02700
   67    42    49    70.00000  123.01800
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    81    70.00000  112.02700
   70    81    82    37.50000  110.70000
   70    81    43    58.35000  112.70000
   70    81    63    50.00000  109.50000
   72    70    71    33.00000  107.80000
   81    70    71    37.50000  110.70000
   81    70    72    37.50000  110.70000
   81    43    44    37.50000  110.70000
   81    43    51    58.35000  112.70000
   81    63    54    83.00000  116.90000
   43    41    42    70.00000  112.02700
   43    81    82    37.50000  110.70000
   43    51    54    63.00000  111.10000
   43    51    56    58.35000  112.70000
   43    51    58    58.35000  112.70000
   51    43    44    37.50000  110.70000
   51    54    55    80.00000  120.40000
   51    54    63    81.00000  111.40000
   51    56    57    37.50000  110.70000
   51    56    64    50.00000  109.50000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    61    37.50000  110.70000
   63    81    82    35.00000  109.50000
   63    81    43    50.00000  109.50000
   63    54    55    83.00000  123.40000
   56    33    34    37.50000  110.70000
   56    33    38    58.35000  112.70000
   56    51    54    63.00000  111.10000
   56    64    65    55.00000  108.50000
   64    56    57    35.00000  109.50000
   58    51    54    63.00000  111.10000
   58    51    56    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   68    66    67    70.00000  124.00000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    76    37.50000  110.70000
   68    77    78    37.50000  110.70000
   68    77    79    37.50000  110.70000
   68    77    80    37.50000  110.70000
   73    68    69    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    68    69    37.50000  110.70000
   77    68    73    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   45    41    42    70.00000  112.02700
   45    41    43    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    56    51   0.44750  1.0 1.0
   29    33    56    51  -0.17800 -1.0 2.0
   29    33    56    51   0.20200  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    64   0.56750  1.0 1.0
   29    33    56    64  -0.07550 -1.0 2.0
   29    33    56    64   0.20000  1.0 3.0
   33    38    41    42   0.34400  1.0 1.0
   33    38    41    42   0.09450 -1.0 2.0
   33    38    41    42   0.11100  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    45   0.56750  1.0 1.0
   33    38    41    45  -0.07550 -1.0 2.0
   33    38    41    45   0.20000  1.0 3.0
   33    56    64    65  -0.11600  1.0 1.0
   33    56    64    65  -0.09450 -1.0 2.0
   33    56    64    65   0.21250  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    56    51   0.15000  1.0 3.0
   34    33    56    57   0.15000  1.0 3.0
   34    33    56    64   0.23400  1.0 3.0
   38    33    56    51   0.56750  1.0 1.0
   38    33    56    51  -0.07550 -1.0 2.0
   38    33    56    51   0.20000  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    64   0.86500  1.0 1.0
   38    33    56    64  -0.17500 -1.0 2.0
   38    33    56    64   0.20800  1.0 3.0
   38    41    42    49   0.09850  1.0 1.0
   38    41    42    49   0.15250 -1.0 2.0
   38    41    42    49  -0.50650  1.0 3.0
   38    41    42    67   0.98200  1.0 1.0
   38    41    42    67  -0.11900 -1.0 2.0
   38    41    42    67   0.24250  1.0 3.0
   38    41    43    81   0.56750  1.0 1.0
   38    41    43    81  -0.07550 -1.0 2.0
   38    41    43    81   0.20000  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41   -43    51   0.56750  1.0 1.0
   38    41   -43    51  -0.07550 -1.0 2.0
   38    41   -43    51   0.20000  1.0 3.0
   38    41    45    46   0.15000  1.0 3.0
   38    41    45    47   0.15000  1.0 3.0
   38    41    45    48   0.15000  1.0 3.0
   39    38    41    42   0.61850  1.0 1.0
   39    38    41    42  -0.22750 -1.0 2.0
   39    38    41    42   0.15300  1.0 3.0
   39    38    41    43   0.62750  1.0 1.0
   39    38    41    43  -0.30950 -1.0 2.0
   39    38    41    43   0.27300  1.0 3.0
   39    38    41    45   0.62750  1.0 1.0
   39    38    41    45  -0.30950 -1.0 2.0
   39    38    41    45   0.27300  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    45   0.15000  1.0 3.0
   41    42    49    50   7.00000 -1.0 2.0
   41    42    49    52   7.00000 -1.0 2.0
   41    42    67    66  -0.18600  1.0 3.0
   41    42    67    70   0.35650  1.0 1.0
   41    42    67    70   0.31450 -1.0 2.0
   41    43    51    54  -0.95700  1.0 1.0
   41    43    51    54  -0.18200 -1.0 2.0
   41    43    51    54   0.29450  1.0 3.0
   41    43    51    56   0.56750  1.0 1.0
   41    43    51    56  -0.07550 -1.0 2.0
   41    43    51    56   0.20000  1.0 3.0
   41    43    51    58   0.56750  1.0 1.0
   41    43    51    58  -0.07550 -1.0 2.0
   41    43    51    58   0.20000  1.0 3.0
   42    41    43    81   0.34400  1.0 1.0
   42    41    43    81   0.09450 -1.0 2.0
   42    41    43    81   0.11100  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    51   0.34400  1.0 1.0
   42    41    43    51   0.09450 -1.0 2.0
   42    41    43    51   0.11100  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    48   0.15000  1.0 3.0
   42    49    52    53   1.00000 -1.0 2.0
   42    49    52    62  -0.56150  1.0 1.0
   42    49    52    62   2.19150 -1.0 2.0
   42    67    70    71   0.00000  1.0 1.0
   42    67    70    72   0.00000  1.0 1.0
   42    67   -70    81   0.98200  1.0 1.0
   42    67   -70    81  -0.11900 -1.0 2.0
   42    67   -70    81   0.24250  1.0 3.0
   49    42    67    66   0.28850  1.0 1.0
   49    42    67    66   2.61350 -1.0 2.0
   49    42    67    66   0.78400  1.0 3.0
   49    42    67    70  -0.18600  1.0 3.0
   49    52   -62    66   2.00000 -1.0 2.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    62   1.63100 -1.0 2.0
   52    62    66    67  -1.93650  1.0 1.0
   52    62    66    67   2.17750 -1.0 2.0
   52    62    66    67  -0.40250  1.0 3.0
   52    62    66    68   2.00000 -1.0 2.0
   53    52    62    66   3.00000 -1.0 2.0
   62    66   -67    42   7.00000 -1.0 2.0
   62    66    67    70   7.00000 -1.0 2.0
   62    66    68    69   0.00000  1.0 1.0
   62    66    68    73   0.09700  1.0 1.0
   62    66    68    73   0.15600 -1.0 2.0
   62    66    68    73  -0.50800  1.0 3.0
   62    66    68    77   0.09700  1.0 1.0
   62    66    68    77   0.15600 -1.0 2.0
   62    66    68    77  -0.50800  1.0 3.0
   66    67    70    71   0.00000  1.0 1.0
   66    67    70    72   0.00000  1.0 1.0
   66    67    70    81   0.09850  1.0 1.0
   66    67    70    81   0.15250 -1.0 2.0
   66    67    70    81  -0.50650  1.0 3.0
   66    68    73    74   0.15000  1.0 3.0
   66    68    73    75   0.15000  1.0 3.0
   66    68    73    76   0.15000  1.0 3.0
   66    68    77    78   0.15000  1.0 3.0
   66    68    77    79   0.15000  1.0 3.0
   66    68    77    80   0.15000  1.0 3.0
   67    42    49    50   7.00000 -1.0 2.0
   67    42   -49    52   7.00000 -1.0 2.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    73   0.09850  1.0 1.0
   67    66    68    73   0.15250 -1.0 2.0
   67    66    68    73  -0.50650  1.0 3.0
   67    66    68    77   0.09850  1.0 1.0
   67    66    68    77   0.15250 -1.0 2.0
   67    66    68    77  -0.50650  1.0 3.0
   67    70    81    82   0.15000  1.0 3.0
   67    70    81    43   0.34400  1.0 1.0
   67    70    81    43   0.09450 -1.0 2.0
   67    70    81    43   0.11100  1.0 3.0
   67    70    81    63   0.61850  1.0 1.0
   67    70    81    63  -0.22750 -1.0 2.0
   67    70    81    63   0.15300  1.0 3.0
   70    81   -43    41   0.56750  1.0 1.0
   70    81   -43    41  -0.07550 -1.0 2.0
   70    81   -43    41   0.20000  1.0 3.0
   70    81    43    44   0.15000  1.0 3.0
   70    81    43    51   0.56750  1.0 1.0
   70    81    43    51  -0.07550 -1.0 2.0
   70    81    43    51   0.20000  1.0 3.0
   70    81    63    54  -0.25900  1.0 1.0
   70    81    63    54  -0.47000 -1.0 2.0
   70    81    63    54   0.11750  1.0 3.0
   71    70    81    82   0.15000  1.0 3.0
   71    70    81    43   0.15000  1.0 3.0
   71    70    81    63   0.23400  1.0 3.0
   72    70    81    82   0.15000  1.0 3.0
   72    70    81    43   0.15000  1.0 3.0
   72    70    81    63   0.23400  1.0 3.0
   81    43   -51    54  -0.95700  1.0 1.0
   81    43   -51    54  -0.18200 -1.0 2.0
   81    43   -51    54   0.29450  1.0 3.0
   81    43    51    56   0.56750  1.0 1.0
   81    43    51    56  -0.07550 -1.0 2.0
   81    43    51    56   0.20000  1.0 3.0
   81    43    51    58   0.56750  1.0 1.0
   81    43    51    58  -0.07550 -1.0 2.0
   81    43    51    58   0.20000  1.0 3.0
   82    81    43    41   0.15000  1.0 3.0
   82    81    43    44   0.15000  1.0 3.0
   82    81    43    51   0.15000  1.0 3.0
   82    81    63    54   0.08050  1.0 3.0
   43    41    42    49   0.09850  1.0 1.0
   43    41    42    49   0.15250 -1.0 2.0
   43    41    42    49  -0.50650  1.0 3.0
   43    41   -42    67   0.98200  1.0 1.0
   43    41   -42    67  -0.11900 -1.0 2.0
   43    41   -42    67   0.24250  1.0 3.0
   43    41    45    46   0.15000  1.0 3.0
   43    41    45    47   0.15000  1.0 3.0
   43    41    45    48   0.15000  1.0 3.0
   43    81   -63    54  -0.25900  1.0 1.0
   43    81   -63    54  -0.47000 -1.0 2.0
   43    81   -63    54   0.11750  1.0 3.0
   43    51    54    55   0.30150 -1.0 2.0
   43    51   -54    63   0.36750  1.0 3.0
   43    51   -56    33   0.56750  1.0 1.0
   43    51   -56    33  -0.07550 -1.0 2.0
   43    51   -56    33   0.20000  1.0 3.0
   43    51    56    57   0.15000  1.0 3.0
   43    51    56    64   0.86500  1.0 1.0
   43    51    56    64  -0.17500 -1.0 2.0
   43    51    56    64   0.20800  1.0 3.0
   43    51    58    59   0.15000  1.0 3.0
   43    51    58    60   0.15000  1.0 3.0
   43    51    58    61   0.15000  1.0 3.0
   44    43    51    54  -0.11250  1.0 3.0
   44    43    51    56   0.15000  1.0 3.0
   44    43    51    58   0.15000  1.0 3.0
   51    54   -63    81   1.63150  1.0 1.0
   51    54   -63    81   2.92000 -1.0 2.0
   51    56    64    65  -0.11600  1.0 1.0
   51    56    64    65  -0.09450 -1.0 2.0
   51    56    64    65   0.21250  1.0 3.0
   54    51    56    33  -0.95700  1.0 1.0
   54    51    56    33  -0.18200 -1.0 2.0
   54    51    56    33   0.29450  1.0 3.0
   54    51    56    57  -0.11250  1.0 3.0
   54    51    56    64  -0.09450  1.0 1.0
   54    51    56    64  -1.12950 -1.0 2.0
   54    51    56    64   0.54000  1.0 3.0
   54    51    58    59  -0.11250  1.0 3.0
   54    51    58    60  -0.11250  1.0 3.0
   54    51    58    61  -0.11250  1.0 3.0
   55    54    63    81   3.00000 -1.0 2.0
   63    81    43    41   0.62750  1.0 1.0
   63    81    43    41  -0.30950 -1.0 2.0
   63    81    43    41   0.27300  1.0 3.0
   63    81    43    44   0.23400  1.0 3.0
   63    81   -43    51   0.62750  1.0 1.0
   63    81   -43    51  -0.30950 -1.0 2.0
   63    81   -43    51   0.27300  1.0 3.0
   56    33    38    39   0.62750  1.0 1.0
   56    33    38    39  -0.30950 -1.0 2.0
   56    33    38    39   0.27300  1.0 3.0
   56    33    38    40   0.15000  1.0 3.0
   56    33   -38    41   0.56750  1.0 1.0
   56    33   -38    41  -0.07550 -1.0 2.0
   56    33   -38    41   0.20000  1.0 3.0
   56    51    54    55   0.30150 -1.0 2.0
   56    51    54    63   0.36750  1.0 3.0
   56    51    58    59   0.15000  1.0 3.0
   56    51    58    60   0.15000  1.0 3.0
   56    51    58    61   0.15000  1.0 3.0
   57    56    64    65   0.19450  1.0 3.0
   58    51    54    55   0.30150 -1.0 2.0
   58    51    54    63   0.36750  1.0 3.0
   58    51    56    33   0.56750  1.0 1.0
   58    51    56    33  -0.07550 -1.0 2.0
   58    51    56    33   0.20000  1.0 3.0
   58    51    56    57   0.15000  1.0 3.0
   58    51    56    64   0.86500  1.0 1.0
   58    51    56    64  -0.17500 -1.0 2.0
   58    51    56    64   0.20800  1.0 3.0
   68    66    67    42   7.00000 -1.0 2.0
   68    66    67    70   7.00000 -1.0 2.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    76   0.15000  1.0 3.0
   69    68    77    78   0.15000  1.0 3.0
   69    68    77    79   0.15000  1.0 3.0
   69    68    77    80   0.15000  1.0 3.0
   73    68    77    78   0.15000  1.0 3.0
   73    68    77    79   0.15000  1.0 3.0
   73    68    77    80   0.15000  1.0 3.0
   77    68    73    74   0.15000  1.0 3.0
   77    68    73    75   0.15000  1.0 3.0
   77    68    73    76   0.15000  1.0 3.0
   45    41    42    49   0.09850  1.0 1.0
   45    41    42    49   0.15250 -1.0 2.0
   45    41    42    49  -0.50650  1.0 3.0
   45    41    42    67   0.98200  1.0 1.0
   45    41    42    67  -0.11900 -1.0 2.0
   45    41    42    67   0.24250  1.0 3.0
   45    41    43    81   0.56750  1.0 1.0
   45    41    43    81  -0.07550 -1.0 2.0
   45    41    43    81   0.20000  1.0 3.0
   45    41    43    44   0.15000  1.0 3.0
   45    41    43    51   0.56750  1.0 1.0
   45    41    43    51  -0.07550 -1.0 2.0
   45    41    43    51   0.20000  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
   41    67    42    49   1.10000 -1.0 2.0
   52    50    49    42   1.10000 -1.0 2.0
   49    62    52    53  10.50000 -1.0 2.0
   62    68    66    67   1.10000 -1.0 2.0
   42    70    67    66   1.10000 -1.0 2.0
   51    63    54    55  10.50000 -1.0 2.0
END
