* LIGAND DATABASE FILE (OPLS2005)
*
001      76    80    150    245     441
    1     0 S   NP   _N1_     1    28.82452    93.60183   -21.23763
    2     1 S   H    _HN1     2     1.02808    80.04013   -96.75034
    3     1 S   H    _H1_     3     1.02857    99.85651    10.15288
    4     1 S   H    _H2_     4     1.02976    33.16731   116.69817
    5     1 S   CT   _CA1     5     1.50467   139.45440   150.84606
    6     5 S   HC   _HA1     6     1.09656   104.75740    44.96290
    7     5 S   CO3  _C1_     7     1.54577   111.17718   -71.28548
    8     7 S   O2Z  _O11     8     1.26131   116.85876  -126.26528
    9     7 S   O2Z  _O12     9     1.26527   114.09382    52.93606
   10     5 S   CT   _CB1    10     1.53120   107.09498   161.55410
   11    10 S   HC   HB11    11     1.09820   110.50109   -39.96593
   12    10 S   HC   HB12    12     1.09809   109.54520    76.52675
   13    10 S   CT   _CG1    13     1.53207   112.38204  -160.64447
   14    13 S   HC   HG11    14     1.09527   110.88924   -42.26484
   15    13 S   HC   HG12    15     1.09611   110.06618    76.43128
   16    13 S   C    _CD1    16     1.51720   111.68300  -163.33356
   17    16 S   O    _OE1    17     1.22759   122.99461   -19.71026
   18    16 S   N    _N2_    18     1.38577   111.92814   160.42279
   19    18 S   H    _HN2    19     1.01558   119.25404     4.55010
   20    18 S   CT1  _CA2    20     1.46190   123.14218  -172.98390
   21    20 S   HC   _HA2    21     1.09722   109.40692   -10.96814
   22    20 S   C    _C2_    22     1.53287   108.65653  -127.07492
   23    22 S   O    _O2_    23     1.23013   122.20259  -145.25908
   24    20 S   CT   _CB2    32     1.53606   111.11346   110.59423
   25    24 S   HC   HB21    33     1.09590   109.63946    59.22776
   26    24 S   HC   HB22    34     1.09459   110.20856   178.11778
   27    22 S   N    _N3_    24     1.38495   113.36958    42.05115
   28    27 S   H    _HN3    25     1.01529   118.92795    -0.41731
   29    24 S   S    _SG2    35     1.82916   111.67883   -61.42059
   30    27 S   CT   _CA3    26     1.45447   123.37350   175.16228
   31    30 S   HC   HA31    27     1.09529   109.15627    25.93920
   32    30 S   HC   HA32    28     1.09494   107.14214   142.92637
   33    29 S   CT   _C20    36     1.84570   100.05678   168.30755
   34    33 S   HC   _H5_    37     1.09941   106.45984   -35.58596
   35    30 S   CO3  _C3_    29     1.52930   113.17022   -97.48368
   36    35 S   O2Z  _O31    30     1.26397   115.42363   -44.26869
   37    35 S   O2Z  _O32    31     1.26359   114.97212   136.67935
   38    33 S   CT   _C19    38     1.53017   109.00135    79.20353
   39    38 S   HC   _H18    39     1.09239   112.90367    55.63713
   40    38 S   HC   _H19    40     1.09699   109.60467   -64.16798
   41    38 S   CO4  _C18    41     1.50973   112.10583   177.50417
   42    41 S   O    _O33    42     1.22993   121.60049   153.04745
   43    41 S   CM   _C17    43     1.47749   118.88290   -30.18515
   44    43 S   HC   _H17    44     1.08406   117.60441  -173.87734
   45    43 S   CM   _C16    45     1.33701   120.94379     4.64688
   46    45 S   HC   _H16    46     1.08870   116.87906  -177.91053
   47    33 S   CT   _C15    47     1.56408   113.80555  -152.13098
   48    47 S   CA   _C11    48     1.51798   118.46541   -39.90369
   49    47 S   CT   _C14    70     1.58913   108.66032    72.26766
   50    49 S   HC   _H14    71     1.09673   111.95498    81.72784
   51    49 S   HC   _H15    72     1.09831   110.95582   -37.44198
   52    48 S   CR3  _C12    49     1.40093   110.27259   133.11597
   53    52 S   CA   _C7_    50     1.39506   124.23593  -172.37072
   54    53 S   CA   _C8_    51     1.39511   117.68967    -4.95776
   55    54 S   HA   _H13    52     1.08476   121.32236   179.30790
   56    53 S   CT   _C6_    60     1.50502   118.84376   168.59323
   57    56 S   HC   _H11    61     1.09614   109.75283   138.08986
   58    56 S   HC   _H12    62     1.09747   107.54185  -105.43465
   59    54 S   CA   _C9_    53     1.39074   117.93509     0.45542
   60    56 S   CT   _C5_    63     1.54059   114.76184    15.22972
   61    60 S   HC   _H9_    64     1.09653   111.22390    77.89905
   62    60 S   HC   _H10    65     1.09519   110.43966  -160.72584
   63    48 S   CA   _C10    54     1.37027   133.22142   -45.54340
   64    60 S   NP   _N4_    66     1.52565   111.23029   -41.14426
   65    64 S   H    _H3_    67     1.03554   106.81445   -55.80780
   66    63 S   OS   _O34    55     1.35576   127.68422    -4.43610
   67    52 S   CT   _C13    68     1.49048   112.02714     6.25298
   68    67 S   HC   _H4_    69     1.09743   110.38573    91.63914
   69    64 S   CT   _C4_    73     1.49961   111.86238  -172.22358
   70    69 S   HC   _H6_    74     1.09315   108.71880   -63.66279
   71    69 S   HC   _H7_    75     1.09318   108.04193    56.82892
   72    69 S   HC   _H8_    76     1.09255   108.30058   175.51865
   73    66 S   CO   _C21    56     1.44039   101.45376   179.00830
   74    73 S   HC   _H20    57     1.09606   108.66428  -120.66882
   75    73 S   HC   _H21    58     1.09602   108.67856   121.21282
   76    59 S   OS   _O35    59     1.36386   124.75907  -179.53733
  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
  17   8   2   1   1  10   5   4   6   3   6   3   9   3  12  15
  11   5   4  15  14  11   4  10   5   4   6  10   5   4   6   7
   6   4   5   1   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    47    48    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    46    47    48    52    63    67    49    50    51  
   38    39    40    41    45    47    48    49  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    47    48    49  
   40    41    42    43    47  
   41    42    43    47  
   42    43    44    45    46    47  
   43    44    45  
   44    45    46    47    48    49  
   45    46    47  
   46    47    48    52    63    67    49    50    51  
   47    48    49  
   48    52    53    59    63    66    64    67    68    49    50    51  
   52    53    54    59    63    66    73    76    56    64    67    68    49    50    51  
   50    51    69    52    53    60    63    64    65    67    68  
   51    52    64    67    68  
   52    64    67    68  
   53    54    55    59    63    66    56    57    58    60    64    65    67    68    69  
   54    55    59    63    76    56    57    58    60    61    62    64    67    68  
   55    59    63    66    73    76    56    57    58    60    67  
   59    63    76    56  
   57    58    60    61    62    64    65    67    69    59  
   58    60    61    62    64  
   60    61    62    64  
   63    66    73    74    75    76  
   61    62    64    65    67    68    69    70    71    72  
   62    64    65    67    69  
   64    65    67    69  
   66    73    74    75    76    67  
   65    67    68    69    70    71    72  
   67    68    69    70    71    72  
   73    74    75    76  
   68    69    70    71    72  
   69  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76  
   75    76  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   65   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.325000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   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   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   76   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    47   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   320.000  1.462
   43    44   340.000  1.080
   43    45   549.000  1.340
   45    46   340.000  1.080
   45    47   317.000  1.510
   47    48   317.000  1.510
   47    49   268.000  1.529
   48    52   490.000  1.398
   48    63   469.000  1.400
   52    53   490.000  1.398
   52    67   317.000  1.510
   53    54   469.000  1.400
   53    56   317.000  1.510
   54    55   367.000  1.080
   54    59   469.000  1.400
   59    63   469.000  1.400
   59    76   450.000  1.364
   63    66   450.000  1.364
   66    73   320.000  1.380
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   320.000  1.380
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    64   367.000  1.471
   64    65   434.000  1.010
   64    67   367.000  1.471
   64    69   367.000  1.471
   67    68   340.000  1.090
   67    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    47    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    47    45    70.00000  112.02700
   33    47    48    70.00000  112.17500
   33    47    49    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    65.00000  118.62400
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    40.00000  117.72500
   41    43    45    65.00000  118.96000
   43    41    42    80.00000  123.72100
   43    45    46    35.00000  120.00000
   43    45    47    70.00000  124.00000
   45    43    44    35.00000  120.00000
   45    47    48    70.00000  112.99600
   45    47    49    70.00000  112.02700
   47    33    34    37.50000  110.70000
   47    33    38    58.35000  112.70000
   47    45    46    35.00000  117.00000
   47    48    52    80.00000  105.07000
   47    48    63    70.00000  120.00000
   47    49    67    58.35000  112.70000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   48    52    53    60.00000  130.80000
   48    52    67    70.00000  120.00000
   48    63    59    63.00000  120.00000
   48    63    66    70.00000  120.00000
   52    53    54    70.00000  112.88000
   52    53    56    80.00000  105.07000
   52    67    64    75.00000  110.83300
   52    67    68    35.00000  109.50000
   52    67    49    70.00000  112.17500
   53    54    55    35.00000  120.00000
   53    54    59    63.00000  120.00000
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    60    70.00000  112.17500
   54    59    63    63.00000  120.00000
   54    59    76    70.00000  120.00000
   59    54    55    35.00000  120.00000
   59    63    66    70.00000  120.00000
   59    76    73   100.00000  112.36700
   63    48    52    70.00000  112.88000
   63    66    73   100.00000  112.36700
   66    73    74    35.00000  109.50000
   66    73    75    35.00000  109.50000
   66    73    76    92.60000  111.55000
   75    73    74    33.00000  109.50000
   76    59    63    70.00000  120.00000
   76    73    74    35.00000  109.50000
   76    73    75    35.00000  109.50000
   56    53    54    70.00000  120.00000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    64    80.00000  111.20000
   58    56    57    33.00000  107.80000
   60    56    57    37.50000  110.70000
   60    56    58    37.50000  110.70000
   60    64    65    35.00000  109.50000
   60    64    67    75.00000  113.01200
   60    64    69    75.00000  113.01200
   62    60    61    33.00000  107.80000
   64    60    61    35.00000  109.50000
   64    60    62    35.00000  109.50000
   64    67    68    35.00000  109.50000
   64    67    49    80.00000  111.20000
   64    69    70    35.00000  109.50000
   64    69    71    35.00000  109.50000
   64    69    72    35.00000  109.50000
   67    52    53    70.00000  120.00000
   67    64    65    35.00000  109.50000
   67    49    50    37.50000  110.70000
   67    49    51    37.50000  110.70000
   49    47    48    70.00000  112.17500
   49    67    68    37.50000  110.70000
   51    49    50    33.00000  107.80000
   69    64    65    35.00000  109.50000
   69    64    67    75.00000  113.01200
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    47    45   0.56750  1.0 1.0
   29    33    47    45  -0.07550 -1.0 2.0
   29    33    47    45   0.20000  1.0 3.0
   29    33    47    48   0.56750  1.0 1.0
   29    33    47    48  -0.07550 -1.0 2.0
   29    33    47    48   0.20000  1.0 3.0
   29    33    47    49   0.44750  1.0 1.0
   29    33    47    49  -0.17800 -1.0 2.0
   29    33    47    49   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.65300  1.0 1.0
   33    38    41    43  -0.03850 -1.0 2.0
   33    38    41    43   0.33900  1.0 3.0
   33    47    48    52   0.04150 -1.0 2.0
   33    47    48    63   0.04150 -1.0 2.0
   33    47    49    67   0.56750  1.0 1.0
   33    47    49    67  -0.07550 -1.0 2.0
   33    47    49    67   0.20000  1.0 3.0
   33    47    49    50   0.15000  1.0 3.0
   33    47    49    51   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    47    45   0.15000  1.0 3.0
   34    33    47    48   0.43200  1.0 3.0
   34    33    47    49   0.15000  1.0 3.0
   38    33    47    45   0.34400  1.0 1.0
   38    33    47    45   0.09450 -1.0 2.0
   38    33    47    45   0.11100  1.0 3.0
   38    33    47    48  -0.03700  1.0 1.0
   38    33    47    48   0.37200 -1.0 2.0
   38    33    47    48  -0.47300  1.0 3.0
   38    33    47    49   0.56750  1.0 1.0
   38    33    47    49  -0.07550 -1.0 2.0
   38    33    47    49   0.20000  1.0 3.0
   38    41    43    44   0.04550  1.0 1.0
   38    41    43    44   0.83000 -1.0 2.0
   38    41    43    44  -0.04000  1.0 3.0
   38    41   -43    45  -0.33500  1.0 1.0
   38    41   -43    45   1.06600 -1.0 2.0
   38    41   -43    45  -0.14000  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    45    46   7.00000 -1.0 2.0
   41    43    45    47   7.00000 -1.0 2.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   1.00000 -1.0 2.0
   43    45   -47    33   0.09850  1.0 1.0
   43    45   -47    33   0.15250 -1.0 2.0
   43    45   -47    33  -0.50650  1.0 3.0
   43    45    47    48   1.44450  1.0 1.0
   43    45    47    48   0.06600 -1.0 2.0
   43    45    47    48   0.29250  1.0 3.0
   43    45    47    49   0.09850  1.0 1.0
   43    45    47    49   0.15250 -1.0 2.0
   43    45    47    49  -0.50650  1.0 3.0
   44    43    45    46   7.00000 -1.0 2.0
   44    43    45    47   7.00000 -1.0 2.0
   45    47    48    52   0.18050 -1.0 2.0
   45    47    48    63   0.18050 -1.0 2.0
   45    47    49    67   0.34400  1.0 1.0
   45    47    49    67   0.09450 -1.0 2.0
   45    47    49    67   0.11100  1.0 3.0
   45    47    49    50   0.15000  1.0 3.0
   45    47    49    51   0.15000  1.0 3.0
   46    45    47    33   0.00000  1.0 1.0
   46    45    47    48   0.00000  1.0 1.0
   46    45    47    49   0.00000  1.0 1.0
   47    33    38    39   0.15000  1.0 3.0
   47    33    38    40   0.15000  1.0 3.0
   47    33   -38    41  -0.95700  1.0 1.0
   47    33   -38    41  -0.18200 -1.0 2.0
   47    33   -38    41   0.29450  1.0 3.0
   47    48    52    53   3.62500 -1.0 2.0
   47    48   -52    67   3.62500 -1.0 2.0
   47    48    63    59   3.62500 -1.0 2.0
   47    48    63    66   3.62500 -1.0 2.0
   48    47   -49    67  -0.03700  1.0 1.0
   48    47   -49    67   0.37200 -1.0 2.0
   48    47   -49    67  -0.47300  1.0 3.0
   48    47    49    50   0.43200  1.0 3.0
   48    47    49    51   0.43200  1.0 3.0
   48    52    53    54   3.62500 -1.0 2.0
   48    52    53    56   3.62500 -1.0 2.0
   48    52    67    64  -0.46400 -1.0 2.0
   48    52    67    68   0.00000  1.0 1.0
   48    52   -67    49   0.04150 -1.0 2.0
   48    63    66    73   1.63200 -1.0 2.0
   52    48    63    59   3.62500 -1.0 2.0
   52    48    63    66   3.62500 -1.0 2.0
   52    53    54    55   3.62500 -1.0 2.0
   52    53   -54    59   3.62500 -1.0 2.0
   52    53    56    57   0.00000  1.0 1.0
   52    53    56    58   0.00000  1.0 1.0
   52    53    56    60   0.04150 -1.0 2.0
   52    67   -49    47  -0.03700  1.0 1.0
   52    67   -49    47   0.37200 -1.0 2.0
   52    67   -49    47  -0.47300  1.0 3.0
   52    67    49    50   0.43200  1.0 3.0
   52    67    49    51   0.43200  1.0 3.0
   53    52    67    64  -0.46400 -1.0 2.0
   53    52    67    68   0.00000  1.0 1.0
   53    52    67    49   0.04150 -1.0 2.0
   53    54    59    63   3.62500 -1.0 2.0
   53    54    59    76   3.62500 -1.0 2.0
   53    56    60    61   0.43200  1.0 3.0
   53    56    60    62   0.43200  1.0 3.0
   53    56   -60    64   1.24050  1.0 1.0
   53    56   -60    64   0.48100 -1.0 2.0
   53    56   -60    64   1.08150  1.0 3.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    58   0.00000  1.0 1.0
   54    53    56    60   0.04150 -1.0 2.0
   54    59   -63    48   3.62500 -1.0 2.0
   54    59    63    66   3.62500 -1.0 2.0
   54    59    76    73   1.63200 -1.0 2.0
   55    54    59    63   3.62500 -1.0 2.0
   55    54    59    76   3.62500 -1.0 2.0
   59    63   -66    73   1.63200 -1.0 2.0
   63    48   -52    53   3.62500 -1.0 2.0
   63    48    52    67   3.62500 -1.0 2.0
   63    59   -76    73   1.63200 -1.0 2.0
   63    66    73    74   0.08050  1.0 3.0
   63    66    73    75   0.08050  1.0 3.0
   63    66   -73    76  -0.25600  1.0 1.0
   63    66   -73    76  -0.40050 -1.0 2.0
   63    66   -73    76   0.34700  1.0 3.0
   66    73   -76    59  -0.25600  1.0 1.0
   66    73   -76    59  -0.40050 -1.0 2.0
   66    73   -76    59   0.34700  1.0 3.0
   74    73    76    59   0.08050  1.0 3.0
   75    73    76    59   0.08050  1.0 3.0
   76    59    63    48   3.62500 -1.0 2.0
   76    59   -63    66   3.62500 -1.0 2.0
   56    53    54    55   3.62500 -1.0 2.0
   56    53    54    59   3.62500 -1.0 2.0
   56    60    64    65   0.17350  1.0 3.0
   56    60    64    67   0.47100  1.0 1.0
   56    60    64    69   0.47100  1.0 1.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    64   0.19200  1.0 3.0
   58    56    60    61   0.15000  1.0 3.0
   58    56    60    62   0.15000  1.0 3.0
   58    56    60    64   0.19200  1.0 3.0
   60    64   -67    52   0.03550  1.0 1.0
   60    64   -67    52   0.09800 -1.0 2.0
   60    64    67    68   0.15000  1.0 3.0
   60    64    67    49   0.47100  1.0 1.0
   60    64    69    70   0.15000  1.0 3.0
   60    64    69    71   0.15000  1.0 3.0
   60    64    69    72   0.15000  1.0 3.0
   61    60    64    65   0.13050  1.0 3.0
   61    60    64    67   0.15000  1.0 3.0
   61    60    64    69   0.15000  1.0 3.0
   62    60    64    65   0.13050  1.0 3.0
   62    60    64    67   0.15000  1.0 3.0
   62    60    64    69   0.15000  1.0 3.0
   64    67    49    47   1.36600  1.0 1.0
   64    67    49    47  -0.11450 -1.0 2.0
   64    67    49    47   0.24250  1.0 3.0
   64    67    49    50   0.19200  1.0 3.0
   64    67    49    51   0.19200  1.0 3.0
   65    64    67    52   0.17350  1.0 3.0
   65    64    67    68   0.13050  1.0 3.0
   65    64    67    49   0.17350  1.0 3.0
   65    64    69    70   0.13050  1.0 3.0
   65    64    69    71   0.13050  1.0 3.0
   65    64    69    72   0.13050  1.0 3.0
   67    52    53    54   3.62500 -1.0 2.0
   67    52   -53    56   3.62500 -1.0 2.0
   67    64    69    70   0.15000  1.0 3.0
   67    64    69    71   0.15000  1.0 3.0
   67    64    69    72   0.15000  1.0 3.0
   68    67    49    47   0.15000  1.0 3.0
   68    67    49    50   0.15000  1.0 3.0
   68    67    49    51   0.15000  1.0 3.0
   49    47   -48    52   0.04150 -1.0 2.0
   49    47    48    63   0.04150 -1.0 2.0
   69    64    67    52   0.03550  1.0 1.0
   69    64    67    52   0.09800 -1.0 2.0
   69    64    67    68   0.15000  1.0 3.0
   69    64    67    49   0.47100  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   41    44    43    45   1.10000 -1.0 2.0
   47    46    45    43   1.10000 -1.0 2.0
   52    63    48    47   4.00000 -1.0 2.0
   53    67    52    48   4.00000 -1.0 2.0
   54    56    53    52   4.00000 -1.0 2.0
   59    55    54    53   1.10000 -1.0 2.0
   63    76    59    54   4.00000 -1.0 2.0
   59    66    63    48   4.00000 -1.0 2.0
END
