* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    150    237     453
    1     0 S   NP   _N1_     1    29.00978    93.99789   -25.66451
    2     1 S   H    _HN1     2     1.02786   117.13758   -98.87758
    3     1 S   H    _H1_     3     1.02948    86.20559     9.83983
    4     1 S   H    _H2_     4     1.02827    20.91556  -166.91381
    5     1 S   CT   _CA1     5     1.50120   118.84680   121.07739
    6     5 S   HC   _HA1     6     1.09573   105.18447    80.55255
    7     5 S   CO3  _C1_     7     1.53782   112.44926   -39.67148
    8     7 S   O2Z  _O11     8     1.26374   115.00519   -42.69367
    9     7 S   O2Z  _O12     9     1.26237   114.94183   136.38300
   10     5 S   CT   _CB1    10     1.53070   107.41063  -161.47353
   11    10 S   HC   HB11    11     1.09835   109.35962   -49.59607
   12    10 S   HC   HB12    12     1.09812   110.45661    67.00719
   13    10 S   CT   _CG1    13     1.52997   112.61818  -170.56014
   14    13 S   HC   HG11    14     1.09579   110.65658   -66.08342
   15    13 S   HC   HG12    15     1.09670   109.76705    53.15817
   16    13 S   C    _CD1    16     1.51804   112.15718   173.61064
   17    16 S   O    _OE1    17     1.22740   123.25931     8.27151
   18    16 S   N    _N2_    18     1.38652   111.72172  -171.80820
   19    18 S   H    _HN2    19     1.01578   118.95415     1.51233
   20    18 S   CT1  _CA2    20     1.46211   123.38259   177.35662
   21    20 S   HC   _HA2    21     1.09740   109.33477     4.32346
   22    20 S   C    _C2_    22     1.53605   108.67698  -111.15009
   23    22 S   O    _O2_    23     1.23068   122.26242  -148.09650
   24    20 S   CT   _CB2    32     1.53502   111.67282   126.30852
   25    24 S   HC   HB21    33     1.09515   109.52538    56.40716
   26    24 S   HC   HB22    34     1.09328   109.66672   175.33045
   27    22 S   N    _N3_    24     1.38324   113.76722    39.36546
   28    27 S   H    _HN3    25     1.01572   119.60008    -3.28896
   29    24 S   S    _SG2    35     1.82933   111.16044   -64.05853
   30    27 S   CT   _CA3    26     1.45286   123.22760   177.14865
   31    30 S   HC   HA31    27     1.09549   107.50887   -64.66990
   32    30 S   HC   HA32    28     1.09556   107.98834    51.77145
   33    29 S   CT   _C15    36     1.87140   102.58338  -172.77925
   34    30 S   CO3  _C3_    29     1.52965   114.07748   173.77477
   35    34 S   O2Z  _O31    30     1.26376   116.07538    -0.52489
   36    34 S   O2Z  _O32    31     1.26427   114.41297   179.53438
   37    33 S   CT   _C12    37     1.57173   107.25046  -166.97717
   38    37 S   HC   _H5_    38     1.09992   105.84527   -51.33395
   39    33 S   CT   _C16    71     1.53851   111.37154   -43.13695
   40    39 S   HC   _H17    72     1.09590   111.62631    70.08825
   41    39 S   HC   _H18    73     1.09376   112.74260   -50.85569
   42    39 S   HC   _H19    74     1.09418   111.70957  -171.63158
   43    33 S   CT   _C17    75     1.54377   106.51005    75.65382
   44    43 S   HC   _H20    76     1.09488   112.44138   -59.63275
   45    43 S   HC   _H21    77     1.09642   111.59927    61.74329
   46    43 S   HC   _H22    78     1.09561   111.32665  -178.41440
   47    37 S   CO4  _C13    39     1.53010   116.38599    63.65286
   48    47 S   O    _O33    40     1.23032   123.56834     3.70586
   49    37 S   CT   _C11    56     1.54963   114.02170  -168.04051
   50    49 S   HC   _H13    57     1.09474   110.81744   -28.96629
   51    49 S   HC   _H14    58     1.09548   107.12497    85.80652
   52    47 S   CT   _C14    41     1.52143   116.72903  -172.87847
   53    52 S   HC   _H15    42     1.09568   107.92930    92.71138
   54    52 S   HC   _H16    43     1.09745   105.68875  -153.12725
   55    52 S   CT   _C5_    44     1.55772   113.99340   -32.12067
   56    55 S   CT   _C6_    45     1.55380   108.20929  -145.45677
   57    56 S   HC   _H9_    46     1.09814   109.67847    46.50599
   58    56 S   HC   _H10    47     1.09757   110.11236   -69.55111
   59    55 S   CT   _C4_    67     1.54660   108.25803    97.69928
   60    59 S   HC   _H6_    68     1.09024   112.81272   167.21563
   61    59 S   HC   _H7_    69     1.09700   110.62124    49.22272
   62    59 S   HC   _H8_    70     1.09164   113.07675   -70.79080
   63    56 S   CT   _C7_    48     1.53198   113.92066   167.43929
   64    63 S   HC   _H11    49     1.09439   110.64074    67.61629
   65    63 S   HC   _H12    50     1.09709   107.91426  -176.10519
   66    63 S   CT   _C8_    51     1.52852   111.53906   -55.87782
   67    66 S   HC   _H3_    52     1.09632   110.24121  -179.72446
   68    66 S   CT   _C9_    53     1.54749   112.20215    57.03340
   69    66 S   OH   _O35    65     1.43224   108.50371   -63.79984
   70    69 S   HO   _H27    66     0.97240   107.60795   -59.04634
   71    55 S   CT   _C10    54     1.55962   108.14084   -26.39912
   72    71 S   HC   _H4_    55     1.10390   105.32185   -50.53820
   73    68 S   CT   _C18    59     1.53470   110.43481    76.37535
   74    73 S   HC   _H23    60     1.09753   110.04032    57.32980
   75    73 S   HC   _H24    61     1.08826   113.86047   -62.72504
   76    73 S   HC   _H25    62     1.09436   111.75009   173.59244
   77    68 S   OH   _O34    63     1.44179   108.12862  -169.33980
   78    77 S   HO   _H26    64     0.97234   107.99342   -48.44188
  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  13   5   4   3
  17   2   1   1  21   9   9   3   2   1   5   2   1   1  11   5
  12   5   4  14   5   4  16  15   7   6   7   3   2   1  10   5
   4  12   6  10   4   1   7   2   5   3   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    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    49    39    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    47    48    52    71    49    50    51    39    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    47    48    52    53    54    55    68    71    72    49    50    51    39    40    41    42    43    44    45    46  
   47    48    52    71    49    50    51    39    43  
   40    41    42    43    44    45    46    47    49  
   41    42    43  
   42    43  
   43  
   44    45    46    47    49  
   45    46  
   46  
    0  
   48    52    53    54    55    56    71    49    50    51    59  
   52    53    54    55    49  
   50    51    73    77    59    52    55    56    66    68    71    72  
   51    55    68    71    72  
   55    68    71    72  
   53    54    55    56    57    58    63    68    71    72    59    60    61    62  
   54    55    56    71    59  
   55    56    71    59  
   56    57    58    63    64    65    66    68    71    72    73    77    59    60    61    62  
   57    58    63    64    65    66    67    68    71    72    69    59    60    61    62  
   58    63    64    65    66    71    59  
   63    64    65    66    71    59  
   60    61    62    63    68    71    72  
   61    62    71  
   62    71  
   71  
   64    65    66    67    68    71    73    77    69    70  
   65    66    67    68    69  
   66    67    68    69  
   67    68    71    72    73    74    75    76    77    78    69    70  
   68    71    73    77    69    70  
   71    72    73    74    75    76    77    78    69    70  
   70    71    73    77  
    0  
   72    73    74    75    76    77    78  
   73    77  
   74    75    76    77    78  
   75    76    77  
   76    77  
   77  
   78  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    47   317.000  1.522
   37    49   268.000  1.529
   47    48   570.000  1.229
   47    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   268.000  1.529
   55    71   268.000  1.529
   55    59   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    69   320.000  1.410
   68    71   268.000  1.529
   68    73   268.000  1.529
   68    77   320.000  1.410
   71    72   340.000  1.090
   71    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   553.000  0.945
   69    70   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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  111.63000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    47    63.00000  111.10000
   33    37    49    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    80.00000  120.40000
   37    47    52    70.00000  116.00000
   37    49    71    58.35000  112.70000
   37    49    50    37.50000  110.70000
   37    49    51    37.50000  110.70000
   47    37    38    35.00000  109.50000
   47    52    53    35.00000  109.50000
   47    52    54    35.00000  109.50000
   47    52    55    63.00000  111.10000
   52    47    48    80.00000  120.40000
   52    55    56    58.35000  112.70000
   52    55    71    58.35000  112.70000
   52    55    59    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    56    57    37.50000  110.70000
   55    56    58    37.50000  110.70000
   55    56    63    58.35000  112.70000
   55    71    68    58.35000  112.70000
   55    71    72    37.50000  110.70000
   55    71    49    58.35000  112.70000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    62    37.50000  110.70000
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    66    58.35000  112.70000
   58    56    57    33.00000  107.80000
   63    56    57    37.50000  110.70000
   63    56    58    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    58.35000  112.70000
   63    66    69    50.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    68    71    58.35000  112.70000
   66    68    73    58.35000  112.70000
   66    68    77    50.00000  109.50000
   66    69    70    55.00000  108.50000
   68    66    67    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    49    58.35000  112.70000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    76    37.50000  110.70000
   68    77    78    55.00000  108.50000
   71    55    56    58.35000  112.70000
   71    49    50    37.50000  110.70000
   71    49    51    37.50000  110.70000
   49    37    38    37.50000  110.70000
   49    37    47    63.00000  111.10000
   49    71    72    37.50000  110.70000
   51    49    50    33.00000  107.80000
   73    68    71    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    68    71    50.00000  109.50000
   77    68    73    50.00000  109.50000
   69    66    67    35.00000  109.50000
   69    66    68    50.00000  109.50000
   59    55    56    58.35000  112.70000
   59    55    71    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   39    33    37    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    39    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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   0.15000  1.0 3.0
   29    33    37    47   0.56750  1.0 1.0
   29    33    37    47  -0.07550 -1.0 2.0
   29    33    37    47   0.20000  1.0 3.0
   29    33    37    49   0.44750  1.0 1.0
   29    33    37    49  -0.17800 -1.0 2.0
   29    33    37    49   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   0.30150 -1.0 2.0
   33    37    47    52   0.60050  1.0 1.0
   33    37    47    52   0.05600 -1.0 2.0
   33    37    47    52   0.26150  1.0 3.0
   33    37    49    71   0.56750  1.0 1.0
   33    37    49    71  -0.07550 -1.0 2.0
   33    37    49    71   0.20000  1.0 3.0
   33    37    49    50   0.15000  1.0 3.0
   33    37    49    51   0.15000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    52    53   0.00000  1.0 1.0
   37    47    52    54   0.00000  1.0 1.0
   37    47    52    55   0.60050  1.0 1.0
   37    47    52    55   0.05600 -1.0 2.0
   37    47    52    55   0.26150  1.0 3.0
   38    37    47    48   0.00000  1.0 1.0
   38    37    47    52   0.00000  1.0 1.0
   38    37    49    71   0.15000  1.0 3.0
   38    37    49    50   0.15000  1.0 3.0
   38    37    49    51   0.15000  1.0 3.0
   47    37    49    71  -0.95700  1.0 1.0
   47    37    49    71  -0.18200 -1.0 2.0
   47    37    49    71   0.29450  1.0 3.0
   47    37    49    50  -0.11250  1.0 3.0
   47    37    49    51  -0.11250  1.0 3.0
   47    52    55    56  -0.95700  1.0 1.0
   47    52    55    56  -0.18200 -1.0 2.0
   47    52    55    56   0.29450  1.0 3.0
   47    52   -55    71  -0.95700  1.0 1.0
   47    52   -55    71  -0.18200 -1.0 2.0
   47    52   -55    71   0.29450  1.0 3.0
   47    52    55    59  -0.95700  1.0 1.0
   47    52    55    59  -0.18200 -1.0 2.0
   47    52    55    59   0.29450  1.0 3.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    52    54   0.00000  1.0 1.0
   48    47    52    55   0.30150 -1.0 2.0
   52    55    56    57   0.15000  1.0 3.0
   52    55    56    58   0.15000  1.0 3.0
   52    55    56    63   0.56750  1.0 1.0
   52    55    56    63  -0.07550 -1.0 2.0
   52    55    56    63   0.20000  1.0 3.0
   52    55    71    68   0.56750  1.0 1.0
   52    55    71    68  -0.07550 -1.0 2.0
   52    55    71    68   0.20000  1.0 3.0
   52    55    71    72   0.15000  1.0 3.0
   52    55    71    49   0.56750  1.0 1.0
   52    55    71    49  -0.07550 -1.0 2.0
   52    55    71    49   0.20000  1.0 3.0
   52    55    59    60   0.15000  1.0 3.0
   52    55    59    61   0.15000  1.0 3.0
   52    55    59    62   0.15000  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    71   0.15000  1.0 3.0
   53    52    55    59   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    71   0.15000  1.0 3.0
   54    52    55    59   0.15000  1.0 3.0
   55    56    63    64   0.15000  1.0 3.0
   55    56    63    65   0.15000  1.0 3.0
   55    56    63    66   0.56750  1.0 1.0
   55    56    63    66  -0.07550 -1.0 2.0
   55    56    63    66   0.20000  1.0 3.0
   55    71   -49    37   0.56750  1.0 1.0
   55    71   -49    37  -0.07550 -1.0 2.0
   55    71   -49    37   0.20000  1.0 3.0
   55    71    49    50   0.15000  1.0 3.0
   55    71    49    51   0.15000  1.0 3.0
   56    55    71    68   0.56750  1.0 1.0
   56    55    71    68  -0.07550 -1.0 2.0
   56    55    71    68   0.20000  1.0 3.0
   56    55    71    72   0.15000  1.0 3.0
   56    55    71    49   0.56750  1.0 1.0
   56    55    71    49  -0.07550 -1.0 2.0
   56    55    71    49   0.20000  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    62   0.15000  1.0 3.0
   56    63    66    67   0.15000  1.0 3.0
   56    63   -66    68   0.56750  1.0 1.0
   56    63   -66    68  -0.07550 -1.0 2.0
   56    63   -66    68   0.20000  1.0 3.0
   56    63    66    69   0.86500  1.0 1.0
   56    63    66    69  -0.17500 -1.0 2.0
   56    63    66    69   0.20800  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    65   0.15000  1.0 3.0
   57    56    63    66   0.15000  1.0 3.0
   58    56    63    64   0.15000  1.0 3.0
   58    56    63    65   0.15000  1.0 3.0
   58    56    63    66   0.15000  1.0 3.0
   63    66    68    71   0.56750  1.0 1.0
   63    66    68    71  -0.07550 -1.0 2.0
   63    66    68    71   0.20000  1.0 3.0
   63    66    68    73   0.56750  1.0 1.0
   63    66    68    73  -0.07550 -1.0 2.0
   63    66    68    73   0.20000  1.0 3.0
   63    66    68    77   0.86500  1.0 1.0
   63    66    68    77  -0.17500 -1.0 2.0
   63    66    68    77   0.20800  1.0 3.0
   63    66    69    70  -0.11600  1.0 1.0
   63    66    69    70  -0.09450 -1.0 2.0
   63    66    69    70   0.21250  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.23400  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.23400  1.0 3.0
   66    68   -71    55   0.56750  1.0 1.0
   66    68   -71    55  -0.07550 -1.0 2.0
   66    68   -71    55   0.20000  1.0 3.0
   66    68    71    72   0.15000  1.0 3.0
   66    68    71    49   0.56750  1.0 1.0
   66    68    71    49  -0.07550 -1.0 2.0
   66    68    71    49   0.20000  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  -0.11600  1.0 1.0
   66    68    77    78  -0.09450 -1.0 2.0
   66    68    77    78   0.21250  1.0 3.0
   67    66    68    71   0.15000  1.0 3.0
   67    66    68    73   0.15000  1.0 3.0
   67    66    68    77   0.23400  1.0 3.0
   67    66    69    70   0.19450  1.0 3.0
   68    66    69    70  -0.11600  1.0 1.0
   68    66    69    70  -0.09450 -1.0 2.0
   68    66    69    70   0.21250  1.0 3.0
   68    71    49    37   0.56750  1.0 1.0
   68    71    49    37  -0.07550 -1.0 2.0
   68    71    49    37   0.20000  1.0 3.0
   68    71    49    50   0.15000  1.0 3.0
   68    71    49    51   0.15000  1.0 3.0
   71    55    56    57   0.15000  1.0 3.0
   71    55    56    58   0.15000  1.0 3.0
   71    55   -56    63   0.56750  1.0 1.0
   71    55   -56    63  -0.07550 -1.0 2.0
   71    55   -56    63   0.20000  1.0 3.0
   71    55    59    60   0.15000  1.0 3.0
   71    55    59    61   0.15000  1.0 3.0
   71    55    59    62   0.15000  1.0 3.0
   71    68    73    74   0.15000  1.0 3.0
   71    68    73    75   0.15000  1.0 3.0
   71    68    73    76   0.15000  1.0 3.0
   71    68    77    78  -0.11600  1.0 1.0
   71    68    77    78  -0.09450 -1.0 2.0
   71    68    77    78   0.21250  1.0 3.0
   72    71    49    37   0.15000  1.0 3.0
   72    71    49    50   0.15000  1.0 3.0
   72    71    49    51   0.15000  1.0 3.0
   49    37    47    48   0.30150 -1.0 2.0
   49    37   -47    52   0.60050  1.0 1.0
   49    37   -47    52   0.05600 -1.0 2.0
   49    37   -47    52   0.26150  1.0 3.0
   73    68    71    55   0.56750  1.0 1.0
   73    68    71    55  -0.07550 -1.0 2.0
   73    68    71    55   0.20000  1.0 3.0
   73    68    71    72   0.15000  1.0 3.0
   73    68    71    49   0.56750  1.0 1.0
   73    68    71    49  -0.07550 -1.0 2.0
   73    68    71    49   0.20000  1.0 3.0
   73    68    77    78  -0.11600  1.0 1.0
   73    68    77    78  -0.09450 -1.0 2.0
   73    68    77    78   0.21250  1.0 3.0
   77    68    71    55   0.86500  1.0 1.0
   77    68    71    55  -0.17500 -1.0 2.0
   77    68    71    55   0.20800  1.0 3.0
   77    68    71    72   0.23400  1.0 3.0
   77    68    71    49   0.86500  1.0 1.0
   77    68    71    49  -0.17500 -1.0 2.0
   77    68    71    49   0.20800  1.0 3.0
   77    68    73    74   0.23400  1.0 3.0
   77    68    73    75   0.23400  1.0 3.0
   77    68    73    76   0.23400  1.0 3.0
   69    66    68    71   0.86500  1.0 1.0
   69    66    68    71  -0.17500 -1.0 2.0
   69    66    68    71   0.20800  1.0 3.0
   69    66    68    73   0.86500  1.0 1.0
   69    66    68    73  -0.17500 -1.0 2.0
   69    66    68    73   0.20800  1.0 3.0
   69    66    68    77   3.75450  1.0 1.0
   59    55    56    57   0.15000  1.0 3.0
   59    55    56    58   0.15000  1.0 3.0
   59    55    56    63   0.56750  1.0 1.0
   59    55    56    63  -0.07550 -1.0 2.0
   59    55    56    63   0.20000  1.0 3.0
   59    55    71    68   0.56750  1.0 1.0
   59    55    71    68  -0.07550 -1.0 2.0
   59    55    71    68   0.20000  1.0 3.0
   59    55    71    72   0.15000  1.0 3.0
   59    55    71    49   0.56750  1.0 1.0
   59    55    71    49  -0.07550 -1.0 2.0
   59    55    71    49   0.20000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    47  -0.95700  1.0 1.0
   39    33    37    47  -0.18200 -1.0 2.0
   39    33    37    47   0.29450  1.0 3.0
   39    33    37    49   0.56750  1.0 1.0
   39    33    37    49  -0.07550 -1.0 2.0
   39    33    37    49   0.20000  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    46   0.15000  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    47  -0.95700  1.0 1.0
   43    33    37    47  -0.18200 -1.0 2.0
   43    33    37    47   0.29450  1.0 3.0
   43    33    37    49   0.56750  1.0 1.0
   43    33    37    49  -0.07550 -1.0 2.0
   43    33    37    49   0.20000  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   37    52    47    48  10.50000 -1.0 2.0
END
