* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    151    239     429
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02057    88.02266    43.56889
    3     1 S   H    _H1_     3     1.02133    33.08183   173.38957
    4     1 S   H    _H2_     4     1.02088    92.40502   -65.06783
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C14    36     1.82851    97.93098   161.83807
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C8_    37     1.49670   108.92560   160.03623
   38    37 S   CM   _C7_    38     1.34249   122.95019   -93.70438
   39    37 S   CT   _C9_    52     1.50889   109.83756    97.56831
   40    39 S   HC   _H3_    53     1.09814   108.94417   136.35214
   41    38 S   CM   _C6_    39     1.46545   121.59187     1.90269
   42    38 S   OH   _O37    50     1.38065   123.70906  -176.20982
   43    42 S   HO   _H20    51     0.96282   109.79880    -1.75847
   44    39 S   CO   _C10    54     1.54427   102.28511    21.25039
   45    39 S   CT   _C17    71     1.52712   112.36224  -104.31357
   46    45 S   HC   _H16    72     1.08926   109.91721   159.97561
   47    45 S   HC   _H17    73     1.08932   109.89824    39.07034
   48    41 S   CM   _C5_    40     1.35471   119.25949   -18.24751
   49    41 S   NE   _N7_    47     1.37198   116.58517   165.06195
   50    49 S   H    _H21    48     0.99272   118.20117   176.50369
   51    49 S   H    _H22    49     0.99276   118.22797    -3.45938
   52    44 S   C3T  _C11    55     1.50064   117.98760  -123.31105
   53    52 S   HC   _H4_    56     1.08013   115.84634   -88.44382
   54    44 S   OS   _O34    66     1.43231   107.59601   114.09296
   55    45 S   OS   _O35    74     1.41496   108.53082   -80.47924
   56    33 S   CO4  _C15    41     1.52770   107.14277    41.44396
   57    56 S   O    _O33    42     1.23170   122.19462   -91.53899
   58    48 S   CT   _C4_    43     1.50242   126.12724  -175.28906
   59    58 S   HC   _H6_    44     1.08673   109.35989    90.04644
   60    58 S   HC   _H7_    45     1.08698   109.39959   -30.11097
   61    58 S   HC   _H8_    46     1.08719   109.36797  -149.81034
   62    52 S   C3T  _C12    57     1.49406   107.20808   134.17547
   63    62 S   HC   _H5_    58     1.07798   120.56006   133.64381
   64    54 S   CT   _C16    67     1.41622   111.12953   -79.96382
   65    64 S   HC   _H13    68     1.09250   109.54111   179.97202
   66    64 S   HC   _H14    69     1.09325   109.54889    59.15314
   67    64 S   HC   _H15    70     1.09293   108.99873   -60.40984
   68    55 S   CO4  _C18    75     1.37164   116.34320   179.93744
   69    68 S   O    _O36    76     1.22644   124.66395     0.04846
   70    62 S   CT   _C13    59     1.49360   108.63357    -3.81901
   71    70 S   HC   _H11    60     1.09552   108.57574   107.61099
   72    70 S   HC   _H12    61     1.09248   112.62889  -134.40781
   73    52 S   NP   _N4_    63     1.44890   123.81035    70.75336
   74    73 S   H    _H9_    64     1.02116   116.60155   -16.10575
   75    73 S   H    _H10    65     1.02242   115.64562  -162.65928
   76    68 S   N    _N6_    77     1.37283   111.01009  -179.98022
   77    76 S   H    _H18    78     1.01485   119.31532  -179.92338
   78    76 S   H    _H19    79     1.01432   121.39898    -0.02798
   79    33 S   NT   _N5_    62     1.47340   119.29604   -82.41056
  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
  19   2   1   1  19  14  18   8  12   3   1  21   9   3   2  10
   4   1   1  12   8   8   5   7   2   3   2   1   1   8   7   4
   2   1   1   4   3   6   3   2   3   1   1   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    79    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    48    56    57    39    44    70    79  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    48    56    57    58    42    39    40    44    52    62    70    71    72    79    54    45  
   35    36  
   36  
    0  
   38    41    48    56    57    49    42    43    39    40    44    52    70    79    54    45    46    47    55  
   41    48    56    58    49    50    51    42    43    39    40    44    79    45  
   40    44    52    53    62    70    79    73    54    64    45    46    47    55    68    41    42    56  
   44    52    79    54    45    46    47    55  
   48    56    57    58    59    60    61    49    50    51    42    43  
   43    48    49  
    0  
   52    53    62    63    70    71    72    79    73    74    75    54    64    65    66    67    45    46    47    55    56  
   46    47    55    68    69    76    52    54    79  
   47    55    68  
   55    68  
   56    57    58    59    60    61    49    50    51    79  
   50    51    56    58  
   51  
    0  
   53    62    63    70    71    72    79    73    74    75    54    64  
   62    63    70    79    73    74    75    54  
   64    65    66    67    62    70    73    79  
   68    69    76    77    78  
   57    58    59    60    61    70    79  
   58    79  
   59    60    61  
   60    61  
   61  
    0  
   63    70    71    72    79    73    74    75  
   70    71    72    79    73    74    75  
   65    66    67    79  
   66    67  
   67  
    0  
   69    76    77    78  
   76    77    78  
   71    72    79    73    74    75  
   72    79    73  
   79    73  
   74    75    79  
   75  
    0  
   77    78  
   78  
    0  
    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   0.377500   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.322500   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.2500   0.1700  -0.725400   1.8650   1.6500   0.051222218  -2.220205820
   50   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   51   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   70   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   3.2500   0.1700   0.135000   2.1950   1.9500   0.003973653   1.685851020
   74   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   75   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   77   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   78   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   79   3.3000   0.1700  -0.542500   1.9050   1.6860   0.051222218  -2.220205820
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   222.000  1.810
   33    37   317.000  1.510
   33    56   317.000  1.522
   33    79   382.000  1.448
   37    38   549.000  1.340
   37    39   317.000  1.510
   38    41   380.000  1.444
   38    42   510.000  1.338
   41    48   549.000  1.340
   41    49   425.000  1.378
   48    56   320.000  1.462
   48    58   317.000  1.510
   56    57   570.000  1.229
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   49    50   434.000  1.010
   49    51   434.000  1.010
   42    43   553.000  0.945
   39    40   340.000  1.090
   39    44   250.000  1.527
   39    45   268.000  1.529
   44    52   275.000  1.510
   44    79   340.000  1.430
   44    54   320.000  1.380
   52    53   340.000  1.088
   52    62   260.000  1.509
   52    73   315.000  1.448
   62    63   340.000  1.088
   62    70   275.000  1.510
   62    73   315.000  1.448
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    79   382.000  1.448
   73    74   434.000  1.010
   73    75   434.000  1.010
   54    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    55   320.000  1.410
   55    68   214.000  1.327
   68    69   570.000  1.229
   68    76   435.000  1.380
   76    77   434.000  1.010
   76    78   434.000  1.010
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    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    37    75.00000  112.20000
   29    33    56    75.00000  110.18000
   29    33    79    85.00000  109.00000
   33    37    38    70.00000  124.00000
   33    37    39    65.00000  117.92700
   33    56    48    65.00000  118.62400
   33    56    57    80.00000  120.40000
   33    79    44    80.00000  111.82000
   33    79    70    51.80000  107.20000
   37    38    41    70.00000  123.01800
   37    38    42    80.00000  121.38400
   37    39    40    35.00000  109.50000
   37    39    44    70.00000  112.02700
   37    39    45    70.00000  112.02700
   38    41    48    70.00000  123.01800
   38    41    49    70.00000  124.03900
   38    42    43    70.00000  107.45700
   41    48    56    65.00000  118.96000
   41    48    58    70.00000  124.00000
   41    49    50    35.00000  114.50000
   41    49    51    35.00000  114.50000
   48    56    57    80.00000  123.72100
   48    58    59    35.00000  109.50000
   48    58    60    35.00000  109.50000
   48    58    61    35.00000  109.50000
   56    33    37    70.00000  109.06800
   58    48    56    65.00000  116.34900
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   49    41    48    70.00000  124.03900
   51    49    50    35.00000  109.00000
   42    38    41    80.00000  121.38400
   39    37    38    70.00000  124.00000
   39    44    52    65.00000  112.71400
   39    44    79    70.00000  117.14000
   39    44    54    90.00000  108.56700
   39    45    46    37.50000  110.70000
   39    45    47    37.50000  110.70000
   39    45    55    50.00000  109.50000
   44    39    40    45.00000  108.72000
   44    52    53    40.00000  115.04500
   44    52    62    60.00000  120.94000
   44    52    73    80.00000  111.20000
   44    79    70    80.00000  111.82000
   44    54    64    60.00000  109.50000
   52    62    63    37.50000  117.20000
   52    62    70    60.00000  120.94000
   52    62    73    30.00000   60.00000
   52    73    62    10.00000   60.00000
   52    73    74    35.00000  109.50000
   52    73    75    35.00000  109.50000
   62    52    53    37.50000  117.20000
   62    70    71    45.00000  109.38400
   62    70    72    45.00000  109.38400
   62    70    79    56.20000  109.47000
   62    73    74    35.00000  109.50000
   62    73    75    35.00000  109.50000
   70    62    63    40.00000  115.04500
   72    70    71    33.00000  107.80000
   79    33    37    75.00000  110.70900
   79    33    56    75.00000  112.82000
   79    44    52    70.00000  117.14000
   79    70    71    35.00000  109.50000
   79    70    72    35.00000  109.50000
   73    52    53    35.00000  109.50000
   73    52    62    30.00000   60.00000
   73    62    63    35.00000  109.50000
   73    62    70    80.00000  111.20000
   75    73    74    35.00000  109.50000
   54    44    52    90.00000  108.56700
   54    44    79   100.00000  112.06800
   54    64    65    35.00000  109.50000
   54    64    66    35.00000  109.50000
   54    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   45    39    40    37.50000  110.70000
   45    39    44    75.00000  109.43000
   45    55    68    83.00000  116.90000
   47    45    46    33.00000  107.80000
   55    45    46    35.00000  109.50000
   55    45    47    35.00000  109.50000
   55    68    69    83.00000  123.40000
   55    68    76   110.00000  108.75700
   68    76    77    50.00000  116.34900
   68    76    78    50.00000  116.34900
   76    68    69    85.00000  125.96000
   78    76    77    35.00000  120.00000
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   0.01700  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    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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
   24    29    33    79   0.01700  1.0 1.0
   24    29    33    79  -0.23550 -1.0 2.0
   24    29    33    79   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    37    38   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    39   0.30250  1.0 1.0
   29    33    37    39  -0.14950 -1.0 2.0
   29    33    37    39   0.36900  1.0 3.0
   29    33    56    48   0.65300  1.0 1.0
   29    33    56    48  -0.03850 -1.0 2.0
   29    33    56    48   0.33900  1.0 3.0
   29    33    56    57   0.30150 -1.0 2.0
   29    33    79    44   0.23200  1.0 1.0
   29    33    79    44   0.02100 -1.0 2.0
   29    33    79    44   0.24950  1.0 3.0
   29    33    79    70   0.23200  1.0 1.0
   29    33    79    70   0.02100 -1.0 2.0
   29    33    79    70   0.24950  1.0 3.0
   33    37    38    41   7.00000 -1.0 2.0
   33    37    38    42   7.00000 -1.0 2.0
   33    37    39    40   0.34800  1.0 3.0
   33    37   -39    44   0.46850  1.0 1.0
   33    37   -39    44   0.08550 -1.0 2.0
   33    37   -39    44   0.09800  1.0 3.0
   33    37    39    45   0.46850  1.0 1.0
   33    37    39    45   0.08550 -1.0 2.0
   33    37    39    45   0.09800  1.0 3.0
   37    33    56    48   0.65300  1.0 1.0
   37    33    56    48  -0.03850 -1.0 2.0
   37    33    56    48   0.33900  1.0 3.0
   37    33    56    57   0.30150 -1.0 2.0
   37    33   -79    44  -0.60800  1.0 1.0
   37    33   -79    44   1.10050 -1.0 2.0
   37    33   -79    44   0.47000  1.0 3.0
   37    33    79    70  -0.60800  1.0 1.0
   37    33    79    70   1.10050 -1.0 2.0
   37    33    79    70   0.47000  1.0 3.0
   37    38   -41    48   0.28850  1.0 1.0
   37    38   -41    48   2.61350 -1.0 2.0
   37    38   -41    48   0.78400  1.0 3.0
   37    38    41    49  -0.18600  1.0 3.0
   37    38    42    43  -0.66100  1.0 1.0
   37    38    42    43   1.20850 -1.0 2.0
   37    38    42    43  -0.36000  1.0 3.0
   37    39    44    52   0.34400  1.0 1.0
   37    39    44    52   0.09450 -1.0 2.0
   37    39    44    52   0.11100  1.0 3.0
   37    39   -44    79   0.59950  1.0 1.0
   37    39   -44    79  -0.21400 -1.0 2.0
   37    39   -44    79   0.56200  1.0 3.0
   37    39    44    54   0.61850  1.0 1.0
   37    39    44    54  -0.22750 -1.0 2.0
   37    39    44    54   0.15300  1.0 3.0
   37    39    45    46   0.15000  1.0 3.0
   37    39    45    47   0.15000  1.0 3.0
   37    39    45    55   0.61850  1.0 1.0
   37    39    45    55  -0.22750 -1.0 2.0
   37    39    45    55   0.15300  1.0 3.0
   38    37    39    40   0.00000  1.0 1.0
   38    37    39    44   0.09850  1.0 1.0
   38    37    39    44   0.15250 -1.0 2.0
   38    37    39    44  -0.50650  1.0 3.0
   38    37    39    45   0.09850  1.0 1.0
   38    37    39    45   0.15250 -1.0 2.0
   38    37    39    45  -0.50650  1.0 3.0
   38    41    48    56   7.00000 -1.0 2.0
   38    41    48    58   7.00000 -1.0 2.0
   38    41    49    50   1.00000 -1.0 2.0
   38    41    49    51   1.00000 -1.0 2.0
   41    38    42    43  -0.66100  1.0 1.0
   41    38    42    43   1.20850 -1.0 2.0
   41    38    42    43  -0.36000  1.0 3.0
   41    48   -56    33  -0.33500  1.0 1.0
   41    48   -56    33   1.06600 -1.0 2.0
   41    48   -56    33  -0.14000  1.0 3.0
   41    48    56    57   1.00000 -1.0 2.0
   41    48    58    59   0.00000  1.0 1.0
   41    48    58    60   0.00000  1.0 1.0
   41    48    58    61   0.00000  1.0 1.0
   48    41    49    50   1.00000 -1.0 2.0
   48    41    49    51   1.00000 -1.0 2.0
   56    33   -37    38  -0.51250  1.0 1.0
   56    33   -37    38  -0.88800 -1.0 2.0
   56    33   -37    38   0.08850  1.0 3.0
   56    33    37    39   0.17250  1.0 1.0
   56    33    37    39  -0.04100 -1.0 2.0
   56    33    37    39  -0.33850  1.0 3.0
   56    33    79    44  -1.76800  1.0 1.0
   56    33    79    44   1.02600 -1.0 2.0
   56    33    79    44   0.19700  1.0 3.0
   56    33    79    70  -1.76800  1.0 1.0
   56    33    79    70   1.02600 -1.0 2.0
   56    33    79    70   0.19700  1.0 3.0
   56    48    58    59   0.15000  1.0 3.0
   56    48    58    60   0.15000  1.0 3.0
   56    48    58    61   0.15000  1.0 3.0
   58    48    56    33   0.25700  1.0 1.0
   58    48    56    33   0.66200 -1.0 2.0
   58    48    56    33   0.04450  1.0 3.0
   58    48    56    57  -0.64400  1.0 1.0
   58    48    56    57   0.26850 -1.0 2.0
   49    41    48    56   7.00000 -1.0 2.0
   49    41    48    58   7.00000 -1.0 2.0
   42    38    41    48   0.50950  1.0 1.0
   42    38    41    48   0.56650 -1.0 2.0
   42    38    41    48   0.34050  1.0 3.0
   42    38    41    49   1.08500 -1.0 2.0
   39    37    38    41   7.00000 -1.0 2.0
   39    37    38    42   7.00000 -1.0 2.0
   39    44    52    53   0.15000  1.0 3.0
   39    44    52    62   0.07850  1.0 1.0
   39    44    52    62  -0.03950 -1.0 2.0
   39    44    52    62   0.67350  1.0 3.0
   39    44    52    73   1.36600  1.0 1.0
   39    44    52    73  -0.11450 -1.0 2.0
   39    44    52    73   0.24250  1.0 3.0
   39    44   -79    33   0.23450  1.0 1.0
   39    44   -79    33   0.02050 -1.0 2.0
   39    44   -79    33   0.25250  1.0 3.0
   39    44    79    70   0.23450  1.0 1.0
   39    44    79    70   0.02050 -1.0 2.0
   39    44    79    70   0.25250  1.0 3.0
   39    44    54    64   0.06250  1.0 1.0
   39    44    54    64  -0.01100 -1.0 2.0
   39    44    54    64   0.28050  1.0 3.0
   39    45    55    68  -0.25900  1.0 1.0
   39    45    55    68  -0.47000 -1.0 2.0
   39    45    55    68   0.11750  1.0 3.0
   40    39    44    52   0.15000  1.0 3.0
   40    39    44    79   0.15000  1.0 3.0
   40    39    44    54   0.23400  1.0 3.0
   40    39    45    46   0.15000  1.0 3.0
   40    39    45    47   0.15000  1.0 3.0
   40    39    45    55   0.23400  1.0 3.0
   44    39    45    46   0.15000  1.0 3.0
   44    39    45    47   0.15000  1.0 3.0
   44    39    45    55   0.62750  1.0 1.0
   44    39    45    55  -0.30950 -1.0 2.0
   44    39    45    55   0.27300  1.0 3.0
   44    52    62    63   0.15000  1.0 3.0
   44    52   -62    70   3.97050  1.0 1.0
   44    52   -62    73   1.36600  1.0 1.0
   44    52   -62    73  -0.11450 -1.0 2.0
   44    52   -62    73   0.24250  1.0 3.0
   44    52   -73    62   0.47100  1.0 1.0
   44    52    73    74   0.17350  1.0 3.0
   44    52    73    75   0.17350  1.0 3.0
   44    54    64    65   0.37050  1.0 3.0
   44    54    64    66   0.37050  1.0 3.0
   44    54    64    67   0.37050  1.0 3.0
   52    44    79    33   0.23450  1.0 1.0
   52    44    79    33   0.02050 -1.0 2.0
   52    44    79    33   0.25250  1.0 3.0
   52    44   -79    70   0.23450  1.0 1.0
   52    44   -79    70   0.02050 -1.0 2.0
   52    44   -79    70   0.25250  1.0 3.0
   52    44    54    64   0.06250  1.0 1.0
   52    44    54    64  -0.01100 -1.0 2.0
   52    44    54    64   0.28050  1.0 3.0
   52    62    70    71   0.15000  1.0 3.0
   52    62    70    72   0.15000  1.0 3.0
   52    62   -70    79   1.53400  1.0 1.0
   52    62   -70    79  -0.09950 -1.0 2.0
   52    62   -70    79   0.05700  1.0 3.0
   52    62   -73    74   0.17350  1.0 3.0
   52    62   -73    75   0.17350  1.0 3.0
   53    52    62    63   0.15000  1.0 3.0
   53    52    62    70   0.15000  1.0 3.0
   53    52   -62    73   0.19200  1.0 3.0
   53    52   -73    62   0.15000  1.0 3.0
   53    52    73    74   0.13050  1.0 3.0
   53    52    73    75   0.13050  1.0 3.0
   62    52   -73    74   0.17350  1.0 3.0
   62    52   -73    75   0.17350  1.0 3.0
   62    70    79    33   0.23450  1.0 1.0
   62    70    79    33   0.02050 -1.0 2.0
   62    70    79    33   0.25250  1.0 3.0
   62    70   -79    44   0.23450  1.0 1.0
   62    70   -79    44   0.02050 -1.0 2.0
   62    70   -79    44   0.25250  1.0 3.0
   63    62    70    71   0.15000  1.0 3.0
   63    62    70    72   0.15000  1.0 3.0
   63    62    70    79   0.15000  1.0 3.0
   63    62   -73    52   0.15000  1.0 3.0
   63    62    73    74   0.13050  1.0 3.0
   63    62    73    75   0.13050  1.0 3.0
   70    62   -73    52   0.47100  1.0 1.0
   70    62    73    74   0.17350  1.0 3.0
   70    62    73    75   0.17350  1.0 3.0
   71    70    79    33   0.28000  1.0 3.0
   71    70    79    44   0.10550  1.0 3.0
   72    70    79    33   0.28000  1.0 3.0
   72    70    79    44   0.10550  1.0 3.0
   79    33    37    38   0.90200  1.0 1.0
   79    33    37    38   0.57900 -1.0 2.0
   79    33    37    38  -0.62100  1.0 3.0
   79    33   -37    39   0.52100  1.0 1.0
   79    33   -37    39  -0.20350 -1.0 2.0
   79    33   -37    39   0.29750  1.0 3.0
   79    33    56    48   0.65300  1.0 1.0
   79    33    56    48  -0.03850 -1.0 2.0
   79    33    56    48   0.33900  1.0 3.0
   79    33    56    57   0.30150 -1.0 2.0
   79    44    52    53   0.15000  1.0 3.0
   79    44   -52    62   1.53400  1.0 1.0
   79    44   -52    62  -0.09950 -1.0 2.0
   79    44   -52    62   0.05700  1.0 3.0
   79    44    52    73   0.99100  1.0 1.0
   79    44    52    73  -1.80900 -1.0 2.0
   79    44    54    64  -1.02450  1.0 1.0
   79    44    54    64  -0.46500 -1.0 2.0
   79    44    54    64   0.47400  1.0 3.0
   73    52   -62    63   0.19200  1.0 3.0
   73    52   -62    70   1.36600  1.0 1.0
   73    52   -62    70  -0.11450 -1.0 2.0
   73    52   -62    70   0.24250  1.0 3.0
   73    62    70    71   0.19200  1.0 3.0
   73    62    70    72   0.19200  1.0 3.0
   73    62   -70    79   0.99100  1.0 1.0
   73    62   -70    79  -1.80900 -1.0 2.0
   54    44    52    53   0.23400  1.0 3.0
   54    44    52    62  -0.26800  1.0 1.0
   54    44    52    62   0.69150 -1.0 2.0
   54    44    52    62  -0.48750  1.0 3.0
   54    44    52    73   1.69300  1.0 1.0
   54    44    52    73  -0.48450 -1.0 2.0
   54    44    79    33   1.00600  1.0 1.0
   54    44    79    33  -1.41450 -1.0 2.0
   54    44    79    33   0.25150  1.0 3.0
   54    44    79    70   1.00600  1.0 1.0
   54    44    79    70  -1.41450 -1.0 2.0
   54    44    79    70   0.25150  1.0 3.0
   45    39    44    52   0.47050  1.0 1.0
   45    39    44    52   0.03900 -1.0 2.0
   45    39    44    52   0.20100  1.0 3.0
   45    39    44    79   1.53400  1.0 1.0
   45    39    44    79  -0.09950 -1.0 2.0
   45    39    44    79   0.05700  1.0 3.0
   45    39    44    54   0.62750  1.0 1.0
   45    39    44    54  -0.30950 -1.0 2.0
   45    39    44    54   0.27300  1.0 3.0
   45    55    68    69   3.00000 -1.0 2.0
   45    55    68    76  -0.80800  1.0 1.0
   45    55    68    76   2.06850 -1.0 2.0
   46    45    55    68   0.08050  1.0 3.0
   47    45    55    68   0.08050  1.0 3.0
   55    68    76    77   2.56700 -1.0 2.0
   55    68    76    78   2.56700 -1.0 2.0
   69    68    76    77   2.45000 -1.0 2.0
   69    68    76    78   2.45000 -1.0 2.0
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
   33    39    37    38   1.10000 -1.0 2.0
   41    42    38    37   1.10000 -1.0 2.0
   38    49    41    48   1.10000 -1.0 2.0
   56    58    48    41   1.10000 -1.0 2.0
   33    48    56    57  10.50000 -1.0 2.0
   51    41    49    50   1.00000 -1.0 2.0
   55    76    68    69  10.50000 -1.0 2.0
   78    68    76    77   1.00000 -1.0 2.0
END
