* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    147    223     431
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02085   102.68031    12.67783
    3     1 S   H    _H1_     3     1.02137    40.95265   116.66962
    4     1 S   H    _H2_     4     1.02147    72.82406   -93.25723
    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     1.08491   110.62044    58.69465
   26    24 S   HC   HB22    34     1.08519   110.01707   179.18699
   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   _C12    36     1.87316    96.47133  -158.14455
   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   CO4  _C13    37     1.53795   104.91967  -160.00371
   38    37 S   O    _O33    38     1.23114   123.00701  -100.84062
   39    33 S   CT   _C7_    52     1.56016   107.53741    77.05758
   40    39 S   HC   _H3_    53     1.10460   107.39166   -55.07497
   41    37 S   CM   _C14    39     1.49223   118.32654    76.44701
   42    39 S   CM   _C5_    54     1.50564   116.11428    62.54029
   43    41 S   CM   _C15    40     1.33940   121.32266    13.54679
   44    42 S   CM   _C6_    55     1.34157   121.90386    91.34451
   45    44 S   HC   _H7_    56     1.08473   121.34814   179.91607
   46    44 S   HC   _H8_    57     1.08477   121.32545    -0.04846
   47    42 S   CT   _C4_    58     1.49947   116.20209   -88.76833
   48    47 S   HC   _H4_    59     1.09538   110.34323   -89.90019
   49    47 S   HC   _H5_    60     1.09524   110.24708    29.93370
   50    47 S   HC   _H6_    61     1.09439   112.15200   149.99087
   51    41 S   OS   _O36    76     1.38005   116.28808  -166.11280
   52    43 S   CO4  _C16    41     1.48786   121.34523     3.19457
   53    52 S   O    _O34    42     1.23103   119.71617  -172.67239
   54    43 S   OS   _O35    71     1.38090   120.86261  -177.99153
   55    51 S   CT   _C18    77     1.40664   112.53511    89.57643
   56    55 S   HC   _H17    78     1.09363   109.51660  -179.97202
   57    55 S   HC   _H18    79     1.09349   109.52917    59.30294
   58    55 S   HC   _H19    80     1.09224   109.02981   -60.36146
   59    33 S   CT   _C11    43     1.55544   108.51627   -42.61106
   60    59 S   HC   _H13    44     1.10199   106.65059    49.69592
   61    54 S   CT   _C17    72     1.40728   112.58374   -90.03261
   62    61 S   HC   _H14    73     1.09270   109.52096  -180.00000
   63    61 S   HC   _H15    74     1.09301   109.45738    59.20896
   64    61 S   HC   _H16    75     1.09244   108.98368   -60.41401
   65    59 S   CT   _C10    45     1.56991   115.11874   167.52962
   66    65 S   CT   _C9_    46     1.54613   109.80059   -48.83406
   67    66 S   HC   _H11    47     1.09841   109.43511   -69.12402
   68    66 S   HC   _H12    48     1.09910   110.52545   174.52732
   69    65 S   CM   _C20    62     1.51227   113.53469    73.65234
   70    69 S   HC   _H23    63     1.08676   117.12745   -62.82068
   71    65 S   CT   _C19    67     1.54727   110.13933  -166.49479
   72    71 S   HC   _H20    68     1.08234   108.85351    56.28639
   73    71 S   HC   _H21    69     1.08234   108.83255   -63.79069
   74    71 S   HC   _H22    70     1.08283   108.82640   176.22763
   75    66 S   CT   _C8_    49     1.52591   113.69860    51.89990
   76    75 S   HC   _H9_    50     1.09647   110.59619    66.28582
   77    75 S   HC   _H10    51     1.09778   108.08883  -178.04997
   78    69 S   CM   _C21    64     1.33707   124.01977   117.16823
   79    78 S   HC   _H24    65     1.08475   120.41400  -179.93147
   80    78 S   HC   _H25    66     1.08436   121.61585     0.01978
  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  12   5   4   3
  21   2   1   1  14   5  20   8  11  12  12   7   2   1   4   2
   1   1   6   9   4   5   3   2   1   1  13   4   3   2   1   1
  15  12   6   5   9   4   5   2   1   1   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    59    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    52    59    60    65    75    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    43    52    53    59    60    65    66    75    76    77    39    40    42    44    47    69    71    51  
   35    36  
   36  
    0  
   38    41    43    52    59    60    65    75    39    40    42    54    51    55  
   41    43    59    39    51  
   40    42    44    45    46    47    48    49    50    41    52    59    60    65    66    67    68    75    76    77  
   42    44    47    59    66    75    76    77  
   43    52    53    59    54    61    51    55    56    57    58  
   44    45    46    47    48    49    50    59    66    75    76    77  
   52    53    59    60    65    54    61    62    63    64    51    55  
   45    46    47    48    49    50    75  
   46    47  
   47  
   48    49    50    75  
   49    50  
   50  
    0  
   55    56    57    58    52    54  
   53    59    60    65    66    69    71    54    61  
   59    60    65    54  
   61    62    63    64    59  
   56    57    58  
   57    58  
   58  
    0  
   60    65    66    67    68    75    69    70    78    71    72    73    74  
   65    66    69    71  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68    75    76    77    69    70    78    79    80    71    72    73    74  
   67    68    75    76    77    69    70    78    71    72    73    74  
   68    75    76    77    69    71  
   75    76    77    69    71  
   70    78    79    80    71    72    73    74    75  
   78    79    80    71  
   72    73    74    75    78  
   73    74  
   74  
    0  
   76    77  
   77  
    0  
   79    80  
   80  
    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   0.167500   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    59   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   320.000  1.462
   41    43   549.000  1.340
   41    51   440.000  1.360
   43    52   320.000  1.462
   43    54   440.000  1.360
   52    53   570.000  1.229
   52    59   317.000  1.522
   59    60   340.000  1.090
   59    65   268.000  1.529
   65    66   268.000  1.529
   65    69   317.000  1.510
   65    71   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    39   268.000  1.529
   39    40   340.000  1.090
   39    42   317.000  1.510
   42    44   549.000  1.340
   42    47   317.000  1.510
   44    45   340.000  1.080
   44    46   340.000  1.080
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   69    70   340.000  1.080
   69    78   549.000  1.340
   78    79   340.000  1.080
   78    80   340.000  1.080
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   54    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   51    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    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  110.18000
   29    33    59    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  118.62400
   33    59    52    63.00000  111.10000
   33    59    60    37.50000  110.70000
   33    59    65    58.35000  112.70000
   33    39    75    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    70.00000  112.02700
   37    41    43    65.00000  118.96000
   37    41    51    85.00000  116.28000
   41    37    38    80.00000  123.72100
   41    43    52    65.00000  118.96000
   41    43    54    80.00000  120.01400
   41    51    55    90.00000  111.18400
   43    52    53    80.00000  123.72100
   43    52    59    65.00000  118.62400
   43    54    61    90.00000  111.18400
   52    59    60    35.00000  109.50000
   52    59    65    63.00000  111.10000
   59    33    37    63.00000  111.10000
   59    52    53    80.00000  120.40000
   59    65    66    58.35000  112.70000
   59    65    69    70.00000  112.02700
   59    65    71    58.35000  112.70000
   65    59    60    37.50000  110.70000
   65    66    67    37.50000  110.70000
   65    66    68    37.50000  110.70000
   65    66    75    58.35000  112.70000
   65    69    70    35.00000  117.00000
   65    69    78    70.00000  124.00000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    74    37.50000  110.70000
   66    75    76    37.50000  110.70000
   66    75    77    37.50000  110.70000
   66    75    39    58.35000  112.70000
   68    66    67    33.00000  107.80000
   75    66    67    37.50000  110.70000
   75    66    68    37.50000  110.70000
   75    39    40    37.50000  110.70000
   75    39    42    70.00000  112.02700
   77    75    76    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    59    58.35000  112.70000
   39    75    76    37.50000  110.70000
   39    75    77    37.50000  110.70000
   39    42    44    70.00000  124.00000
   39    42    47    65.00000  117.92700
   42    39    40    35.00000  109.50000
   42    44    45    35.00000  120.00000
   42    44    46    35.00000  120.00000
   42    47    48    35.00000  109.50000
   42    47    49    35.00000  109.50000
   42    47    50    35.00000  109.50000
   46    44    45    35.00000  117.00000
   47    42    44    70.00000  124.00000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   69    65    66    70.00000  112.02700
   69    78    79    35.00000  120.00000
   69    78    80    35.00000  120.00000
   78    69    70    35.00000  120.00000
   80    78    79    35.00000  117.00000
   71    65    66    58.35000  112.70000
   71    65    69    70.00000  112.02700
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   54    43    52    85.00000  116.28000
   54    61    62    35.00000  109.50000
   54    61    63    35.00000  109.50000
   54    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   51    41    43    80.00000  120.01400
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   0.21350  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    37    38   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    59    52   0.56750  1.0 1.0
   29    33    59    52  -0.07550 -1.0 2.0
   29    33    59    52   0.20000  1.0 3.0
   29    33    59    60   0.15000  1.0 3.0
   29    33    59    65   0.44750  1.0 1.0
   29    33    59    65  -0.17800 -1.0 2.0
   29    33    59    65   0.20200  1.0 3.0
   29    33    39    75   0.44750  1.0 1.0
   29    33    39    75  -0.17800 -1.0 2.0
   29    33    39    75   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    37    41    43  -0.33500  1.0 1.0
   33    37    41    43   1.06600 -1.0 2.0
   33    37    41    43  -0.14000  1.0 3.0
   33    37    41    51   0.32450 -1.0 2.0
   33    37    41    51   0.17400  1.0 3.0
   33    59    65    66   0.56750  1.0 1.0
   33    59    65    66  -0.07550 -1.0 2.0
   33    59    65    66   0.20000  1.0 3.0
   33    59    65    69   0.34400  1.0 1.0
   33    59    65    69   0.09450 -1.0 2.0
   33    59    65    69   0.11100  1.0 3.0
   33    59    65    71   0.56750  1.0 1.0
   33    59    65    71  -0.07550 -1.0 2.0
   33    59    65    71   0.20000  1.0 3.0
   33    39    42    44   0.09850  1.0 1.0
   33    39    42    44   0.15250 -1.0 2.0
   33    39    42    44  -0.50650  1.0 3.0
   33    39    42    47   0.46850  1.0 1.0
   33    39    42    47   0.08550 -1.0 2.0
   33    39    42    47   0.09800  1.0 3.0
   37    33    59    52   0.11950  1.0 1.0
   37    33    59    52   0.20300 -1.0 2.0
   37    33    59    52  -0.70800  1.0 3.0
   37    33    59    60  -0.11250  1.0 3.0
   37    33    59    65  -0.95700  1.0 1.0
   37    33    59    65  -0.18200 -1.0 2.0
   37    33    59    65   0.29450  1.0 3.0
   37    33    39    75  -0.95700  1.0 1.0
   37    33    39    75  -0.18200 -1.0 2.0
   37    33    39    75   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    42  -0.98800  1.0 1.0
   37    33    39    42   0.48800 -1.0 2.0
   37    33    39    42   0.76800  1.0 3.0
   37    41   -43    52   7.00000 -1.0 2.0
   37    41    43    54   7.00000 -1.0 2.0
   37    41    51    55   0.15100 -1.0 2.0
   38    37    41    43   1.00000 -1.0 2.0
   38    37    41    51  -0.11900  1.0 1.0
   38    37    41    51   0.76850 -1.0 2.0
   38    37    41    51   0.14100  1.0 3.0
   41    43    52    53   1.00000 -1.0 2.0
   41    43    52    59  -0.33500  1.0 1.0
   41    43    52    59   1.06600 -1.0 2.0
   41    43    52    59  -0.14000  1.0 3.0
   41    43    54    61  -2.26850  1.0 1.0
   41    43    54    61   3.39050 -1.0 2.0
   41    51    55    56   0.08050  1.0 3.0
   41    51    55    57   0.08050  1.0 3.0
   41    51    55    58   0.08050  1.0 3.0
   43    41    51    55  -2.26850  1.0 1.0
   43    41    51    55   3.39050 -1.0 2.0
   43    52   -59    33   0.65300  1.0 1.0
   43    52   -59    33  -0.03850 -1.0 2.0
   43    52   -59    33   0.33900  1.0 3.0
   43    52    59    60   0.00000  1.0 1.0
   43    52    59    65   0.65300  1.0 1.0
   43    52    59    65  -0.03850 -1.0 2.0
   43    52    59    65   0.33900  1.0 3.0
   43    54    61    62   0.08050  1.0 3.0
   43    54    61    63   0.08050  1.0 3.0
   43    54    61    64   0.08050  1.0 3.0
   52    43    54    61   0.15100 -1.0 2.0
   52    59    65    66  -0.95700  1.0 1.0
   52    59    65    66  -0.18200 -1.0 2.0
   52    59    65    66   0.29450  1.0 3.0
   52    59    65    69  -0.98800  1.0 1.0
   52    59    65    69   0.48800 -1.0 2.0
   52    59    65    69   0.76800  1.0 3.0
   52    59    65    71  -0.95700  1.0 1.0
   52    59    65    71  -0.18200 -1.0 2.0
   52    59    65    71   0.29450  1.0 3.0
   53    52    59    33   0.30150 -1.0 2.0
   53    52    59    60   0.00000  1.0 1.0
   53    52    59    65   0.30150 -1.0 2.0
   59    33    37    38   0.30150 -1.0 2.0
   59    33   -37    41   0.65300  1.0 1.0
   59    33   -37    41  -0.03850 -1.0 2.0
   59    33   -37    41   0.33900  1.0 3.0
   59    33    39    75   0.56750  1.0 1.0
   59    33    39    75  -0.07550 -1.0 2.0
   59    33    39    75   0.20000  1.0 3.0
   59    33    39    40   0.15000  1.0 3.0
   59    33    39    42   0.34400  1.0 1.0
   59    33    39    42   0.09450 -1.0 2.0
   59    33    39    42   0.11100  1.0 3.0
   59    65    66    67   0.15000  1.0 3.0
   59    65    66    68   0.15000  1.0 3.0
   59    65   -66    75   0.56750  1.0 1.0
   59    65   -66    75  -0.07550 -1.0 2.0
   59    65   -66    75   0.20000  1.0 3.0
   59    65    69    70   0.00000  1.0 1.0
   59    65    69    78   0.09850  1.0 1.0
   59    65    69    78   0.15250 -1.0 2.0
   59    65    69    78  -0.50650  1.0 3.0
   59    65    71    72   0.15000  1.0 3.0
   59    65    71    73   0.15000  1.0 3.0
   59    65    71    74   0.15000  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    69   0.15000  1.0 3.0
   60    59    65    71   0.15000  1.0 3.0
   65    66    75    76   0.15000  1.0 3.0
   65    66    75    77   0.15000  1.0 3.0
   65    66    75    39   0.56750  1.0 1.0
   65    66    75    39  -0.07550 -1.0 2.0
   65    66    75    39   0.20000  1.0 3.0
   65    69    78    79   7.00000 -1.0 2.0
   65    69    78    80   7.00000 -1.0 2.0
   66    65    69    70   0.00000  1.0 1.0
   66    65    69    78   0.09850  1.0 1.0
   66    65    69    78   0.15250 -1.0 2.0
   66    65    69    78  -0.50650  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    74   0.15000  1.0 3.0
   66    75   -39    33   0.56750  1.0 1.0
   66    75   -39    33  -0.07550 -1.0 2.0
   66    75   -39    33   0.20000  1.0 3.0
   66    75    39    40   0.15000  1.0 3.0
   66    75    39    42   0.34400  1.0 1.0
   66    75    39    42   0.09450 -1.0 2.0
   66    75    39    42   0.11100  1.0 3.0
   67    66    75    76   0.15000  1.0 3.0
   67    66    75    77   0.15000  1.0 3.0
   67    66    75    39   0.15000  1.0 3.0
   68    66    75    76   0.15000  1.0 3.0
   68    66    75    77   0.15000  1.0 3.0
   68    66    75    39   0.15000  1.0 3.0
   75    39    42    44   0.09850  1.0 1.0
   75    39    42    44   0.15250 -1.0 2.0
   75    39    42    44  -0.50650  1.0 3.0
   75    39    42    47   0.46850  1.0 1.0
   75    39    42    47   0.08550 -1.0 2.0
   75    39    42    47   0.09800  1.0 3.0
   76    75    39    33   0.15000  1.0 3.0
   76    75    39    40   0.15000  1.0 3.0
   76    75    39    42   0.15000  1.0 3.0
   77    75    39    33   0.15000  1.0 3.0
   77    75    39    40   0.15000  1.0 3.0
   77    75    39    42   0.15000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.65300  1.0 1.0
   39    33    37    41  -0.03850 -1.0 2.0
   39    33    37    41   0.33900  1.0 3.0
   39    33    59    52  -0.95700  1.0 1.0
   39    33    59    52  -0.18200 -1.0 2.0
   39    33    59    52   0.29450  1.0 3.0
   39    33    59    60   0.15000  1.0 3.0
   39    33   -59    65   0.56750  1.0 1.0
   39    33   -59    65  -0.07550 -1.0 2.0
   39    33   -59    65   0.20000  1.0 3.0
   39    42    44    45   7.00000 -1.0 2.0
   39    42    44    46   7.00000 -1.0 2.0
   39    42    47    48   0.34800  1.0 3.0
   39    42    47    49   0.34800  1.0 3.0
   39    42    47    50   0.34800  1.0 3.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    47   0.34800  1.0 3.0
   44    42    47    48   0.00000  1.0 1.0
   44    42    47    49   0.00000  1.0 1.0
   44    42    47    50   0.00000  1.0 1.0
   47    42    44    45   7.00000 -1.0 2.0
   47    42    44    46   7.00000 -1.0 2.0
   69    65    66    67   0.15000  1.0 3.0
   69    65    66    68   0.15000  1.0 3.0
   69    65    66    75   0.34400  1.0 1.0
   69    65    66    75   0.09450 -1.0 2.0
   69    65    66    75   0.11100  1.0 3.0
   69    65    71    72   0.15000  1.0 3.0
   69    65    71    73   0.15000  1.0 3.0
   69    65    71    74   0.15000  1.0 3.0
   70    69    78    79   7.00000 -1.0 2.0
   70    69    78    80   7.00000 -1.0 2.0
   71    65    66    67   0.15000  1.0 3.0
   71    65    66    68   0.15000  1.0 3.0
   71    65    66    75   0.56750  1.0 1.0
   71    65    66    75  -0.07550 -1.0 2.0
   71    65    66    75   0.20000  1.0 3.0
   71    65    69    70   0.00000  1.0 1.0
   71    65    69    78   0.09850  1.0 1.0
   71    65    69    78   0.15250 -1.0 2.0
   71    65    69    78  -0.50650  1.0 3.0
   54    43    52    53  -0.11900  1.0 1.0
   54    43    52    53   0.76850 -1.0 2.0
   54    43    52    53   0.14100  1.0 3.0
   54    43    52    59   0.32450 -1.0 2.0
   54    43    52    59   0.17400  1.0 3.0
   51    41    43    52   7.00000 -1.0 2.0
   51    41    43    54   7.00000 -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    41    37    38  10.50000 -1.0 2.0
   37    51    41    43   1.10000 -1.0 2.0
   52    54    43    41   1.10000 -1.0 2.0
   43    59    52    53  10.50000 -1.0 2.0
   39    47    42    44  15.00000 -1.0 2.0
   45    46    44    42  15.00000 -1.0 2.0
   65    70    69    78  15.00000 -1.0 2.0
   79    80    78    69  15.00000 -1.0 2.0
END
