* LIGAND DATABASE FILE (OPLS2005)
*
001      86    90    169    273     500
    1     0 S   NP   _N1_     1    29.34202    98.42363   -22.50623
    2     1 S   H    _HN1     2     1.02788   106.36427  -100.58623
    3     1 S   H    _H1_     3     1.02948    58.67853     1.30806
    4     1 S   H    _H2_     4     1.02828    51.32227   159.34080
    5     1 S   CT   _CA1     5     1.50126   141.26520    85.21281
    6     5 S   HC   _HA1     6     1.09574   105.15889   112.67610
    7     5 S   CO3  _C1_     7     1.53777   112.47587    -7.50193
    8     7 S   O2Z  _O11     8     1.26376   114.99874   -41.85115
    9     7 S   O2Z  _O12     9     1.26239   114.94386   137.16551
   10     5 S   CT   _CB1    10     1.53070   107.41400  -129.35745
   11    10 S   HC   HB11    11     1.09837   109.32457   -49.42948
   12    10 S   HC   HB12    12     1.09810   110.47789    67.17631
   13    10 S   CT   _CG1    13     1.52997   112.62344  -170.37974
   14    13 S   HC   HG11    14     1.09582   110.69758   -67.18336
   15    13 S   HC   HG12    15     1.09676   109.72444    52.04351
   16    13 S   C    _CD1    16     1.51820   112.12462   172.49957
   17    16 S   O    _OE1    17     1.22734   123.25283    10.31288
   18    16 S   N    _N2_    18     1.38613   111.66416  -169.70277
   19    18 S   H    _HN2    19     1.01569   118.94650     1.47273
   20    18 S   CT1  _CA2    20     1.46215   123.49143   177.27236
   21    20 S   HC   _HA2    21     1.09726   109.23981     7.95011
   22    20 S   C    _C2_    22     1.53704   109.78948  -107.73991
   23    22 S   O    _O2_    23     1.23103   121.99551  -157.43502
   24    20 S   CT   _CB2    32     1.53247   111.02130   129.95542
   25    24 S   HC   HB21    33     1.09363   109.63892    55.02772
   26    24 S   HC   HB22    34     1.09509   110.61449   173.13744
   27    22 S   N    _N3_    24     1.38181   114.26751    29.53519
   28    27 S   H    _HN3    25     1.01539   119.54893    -3.07103
   29    24 S   S    _SG2    35     1.83042   111.38495   -68.19280
   30    27 S   CT   _CA3    26     1.45267   123.30795   177.39962
   31    30 S   HC   HA31    27     1.09543   107.50197   -65.67547
   32    30 S   HC   HA32    28     1.09557   108.04421    50.78971
   33    29 S   CT   _C23    36     1.84754   101.35905   136.14536
   34    33 S   OM   _O37    37     1.31875   110.32840   167.66335
   35    30 S   CO3  _C3_    29     1.52960   113.99184   172.88707
   36    35 S   O2Z  _O31    30     1.26386   116.05696     1.55972
   37    35 S   O2Z  _O32    31     1.26419   114.42375  -178.40394
   38    33 S   CT   _C24    38     1.54592   106.38414   -77.49013
   39    38 S   HC   _H24    39     1.09702   111.52813    65.08524
   40    38 S   HC   _H25    40     1.09846   113.34024   -57.22923
   41    38 S   HC   _H26    41     1.09988   111.16800  -178.25392
   42    33 S   OS   _O36    42     1.44566   115.67384    38.06831
   43    42 S   CA   _C15    43     1.36201   123.18674    52.61209
   44    43 S   CA   _C14    44     1.40051   127.05546    21.71221
   45    44 S   HA   _H16    45     1.08551   121.45425     1.98475
   46    44 S   CA   _C13    46     1.41180   121.10540  -175.78834
   47    46 S   HA   _H15    47     1.08716   119.07905   175.93591
   48    46 S   CA   _C12    48     1.39468   120.53683    -2.18068
   49    48 S   CR3  _C17    49     1.38160   117.00655    -2.49136
   50    48 S   CT   _C11    64     1.50470   123.60728   171.91422
   51    50 S   HC   _H13    65     1.09836   106.61497   -59.15262
   52    50 S   HC   _H14    66     1.09358   109.65078    55.92041
   53    43 S   CA   _C16    50     1.38282   115.90802  -157.27825
   54    53 S   OS   _O35    51     1.37168   126.24235     4.00428
   55    54 S   CT   _C19    52     1.46755   104.85630   162.94946
   56    55 S   HC   _H6_    53     1.09770   105.52410   142.15897
   57    55 S   CT   _C6_    54     1.55477   110.99136  -101.90444
   58    57 S   HC   _H3_    55     1.09951   108.50873  -138.74136
   59    57 S   CM   _C7_    56     1.50610   115.18846   104.21642
   60    59 S   HC   _H11    57     1.08678   118.09168  -155.52321
   61    57 S   OS   _O34    80     1.44267   111.32497   -19.58050
   62    59 S   CM   _C8_    58     1.34130   122.61916    29.33050
   63    62 S   HC   _H12    59     1.08609   119.47323   175.33058
   64    61 S   CO4  _C5_    81     1.36305   116.89529   -76.96841
   65    64 S   O    _O33    82     1.22353   126.26358    -0.26095
   66    62 S   CT   _C9_    60     1.50755   121.28565    -2.40940
   67    66 S   HC   _H4_    61     1.09975   106.05287    86.41307
   68    64 S   CT   _C4_    83     1.49816   109.71873   179.57204
   69    68 S   HC   _H8_    84     1.09239   109.91552   -62.27808
   70    68 S   HC   _H9_    85     1.09380   109.31690   178.72038
   71    68 S   HC   _H10    86     1.09231   109.86638    59.88269
   72    66 S   CT   _C10    62     1.55600   113.96950  -154.43481
   73    72 S   HC   _H5_    63     1.09713   109.93439   -58.33492
   74    72 S   NP   _N4_    67     1.53994   106.20735  -171.35775
   75    74 S   H    _H7_    68     1.02939   105.18503    54.21752
   76    74 S   CT   _C21    69     1.50979   114.53820   -61.32917
   77    76 S   HC   _H19    70     1.09459   107.99979   -71.33359
   78    76 S   HC   _H20    71     1.09554   107.25465   172.00026
   79    74 S   CT   _C22    76     1.50586   113.96647   167.78894
   80    79 S   HC   _H21    77     1.09180   109.33072    73.70595
   81    79 S   HC   _H22    78     1.09349   107.66007  -166.43530
   82    79 S   HC   _H23    79     1.09276   108.29049   -47.77804
   83    76 S   CT   _C20    72     1.52875   110.42593    51.87749
   84    83 S   HC   _H17    73     1.09830   108.59338    73.84017
   85    83 S   HC   _H18    74     1.09776   108.44851  -171.17149
   86    49 S   CT   _C18    75     1.49318   126.33759  -179.71401
  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   8   5   4   3
   9   6   2   1   1   5   3   2   1   7  10   8   4   9   3  13
  17  13   5   4   7   9  16   7  12   6   9   4   8   8   4   5
   4  11   5   3   2   1   1  12   5  12   8  10   6   5   4   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    53  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    46    49    53    54  
   44    45    46    47    48    49    53    54    55    86  
   45    46    47    48    49    53    54    50  
   46    47    48    53  
   47    48    49    53    72    50    51    52    86  
   48    49    50  
   49    53    54    55    66    72    73    50    51    52    74    83    86  
   53    54    55    56    57    62    66    67    72    50    51    52    76    83    84    85    86  
   51    52    74    75    76    86    79    53    62    66    67    72    73  
   52    74    66    72    73  
   74    66    72    73  
   54    55    56    57    66    83    86  
   55    56    57    58    59    66    83    86    61  
   56    57    58    59    60    62    66    67    72    76    83    84    85    86    61    64  
   57    58    59    66    83    86    61  
   58    59    60    62    63    66    83    86    61    64    65    68  
   59    60    62    86    61    64  
   60    62    63    66    67    72    86    61    64  
   62    63    66    61  
   64    65    68    69    70    71    62    86  
   63    66    67    72    73    74    83    86  
   66    67    72    86  
   65    68    69    70    71  
   68    69    70    71  
   67    72    73    74    75    76    83    84    85    86    79  
   72    73    74    83    86  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77    78    83    86    79    80    81    82  
   74    75    76    86    79  
   75    76    77    78    83    84    85    86    79    80    81    82  
   76    77    78    83    79    80    81    82  
   77    78    83    84    85    86    79    80    81    82  
   78    83    84    85    86    79  
   83    84    85    86    79  
   80    81    82    83  
   81    82  
   82  
    0  
   84    85    86  
   85    86  
   86  
    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  -0.316400   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   75   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   86   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
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   570.000  1.307
   33    38   268.000  1.529
   33    42   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    53   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   490.000  1.398
   48    50   317.000  1.510
   49    53   490.000  1.398
   49    86   317.000  1.510
   53    54   450.000  1.364
   54    55   320.000  1.410
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    86   268.000  1.529
   57    58   340.000  1.090
   57    59   317.000  1.510
   57    61   320.000  1.410
   59    60   340.000  1.080
   59    62   549.000  1.340
   62    63   340.000  1.080
   62    66   317.000  1.510
   66    67   340.000  1.090
   66    72   268.000  1.529
   66    86   268.000  1.529
   72    73   340.000  1.090
   72    50   268.000  1.529
   72    74   367.000  1.471
   50    51   340.000  1.090
   50    52   340.000  1.090
   74    75   434.000  1.010
   74    76   367.000  1.471
   74    79   367.000  1.471
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   61    64   214.000  1.327
   64    65   570.000  1.229
   64    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    42    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    75.00000  111.00000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34   110.00000  112.65000
   42    33    38    50.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    53    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    53    49    70.00000  112.88000
   43    53    54    70.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    70.00000  112.88000
   46    48    50    70.00000  120.00000
   48    46    47    35.00000  120.00000
   48    49    53    60.00000  130.80000
   48    49    86    70.00000  120.00000
   48    50    72    70.00000  112.17500
   48    50    51    35.00000  109.50000
   48    50    52    35.00000  109.50000
   49    53    54    70.00000  120.00000
   49    86    55    70.00000  112.17500
   49    86    66    70.00000  112.17500
   49    86    83    70.00000  112.17500
   53    43    44    63.00000  120.00000
   53    54    55    75.00000  111.00000
   54    55    56    35.00000  109.50000
   54    55    57    50.00000  109.50000
   54    55    86    50.00000  109.50000
   55    57    58    37.50000  110.70000
   55    57    59    70.00000  112.02700
   55    57    61    50.00000  109.50000
   55    86    66    58.35000  112.70000
   55    86    83    58.35000  112.70000
   57    55    56    37.50000  110.70000
   57    59    60    35.00000  117.00000
   57    59    62    70.00000  124.00000
   57    61    64    83.00000  116.90000
   59    57    58    35.00000  109.50000
   59    62    63    35.00000  120.00000
   59    62    66    70.00000  124.00000
   62    59    60    35.00000  120.00000
   62    66    67    35.00000  109.50000
   62    66    72    70.00000  112.02700
   62    66    86    70.00000  112.02700
   66    62    63    35.00000  117.00000
   66    72    73    37.50000  110.70000
   66    72    50    58.35000  112.70000
   66    72    74    80.00000  111.20000
   66    86    83    58.35000  112.70000
   72    66    67    37.50000  110.70000
   72    50    51    37.50000  110.70000
   72    50    52    37.50000  110.70000
   72    74    75    35.00000  109.50000
   72    74    76    75.00000  113.01200
   72    74    79    75.00000  113.01200
   50    48    49    80.00000  105.07000
   50    72    73    37.50000  110.70000
   52    50    51    33.00000  107.80000
   74    72    73    35.00000  109.50000
   74    72    50    80.00000  111.20000
   74    76    77    35.00000  109.50000
   74    76    78    35.00000  109.50000
   74    76    83    80.00000  111.20000
   74    79    80    35.00000  109.50000
   74    79    81    35.00000  109.50000
   74    79    82    35.00000  109.50000
   76    74    75    35.00000  109.50000
   76    83    84    37.50000  110.70000
   76    83    85    37.50000  110.70000
   76    83    86    58.35000  112.70000
   78    76    77    33.00000  107.80000
   83    76    77    37.50000  110.70000
   83    76    78    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    49    53    70.00000  120.00000
   86    55    56    37.50000  110.70000
   86    55    57    58.35000  112.70000
   86    66    67    37.50000  110.70000
   86    66    72    58.35000  112.70000
   86    83    84    37.50000  110.70000
   86    83    85    37.50000  110.70000
   79    74    75    35.00000  109.50000
   79    74    76    75.00000  113.01200
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   61    57    58    35.00000  109.50000
   61    57    59    85.00000  110.90400
   61    64    65    83.00000  123.40000
   61    64    68    81.00000  111.40000
   64    68    69    35.00000  109.50000
   64    68    70    35.00000  109.50000
   64    68    71    35.00000  109.50000
   68    64    65    80.00000  120.40000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  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   0.15000  1.0 3.0
   29    33    42    43   0.14700  1.0 1.0
   29    33    42    43  -1.16150 -1.0 2.0
   29    33    42    43   0.48700  1.0 3.0
   33    42    43    44   1.63200 -1.0 2.0
   33    42    43    53   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43  -0.25600  1.0 1.0
   34    33    42    43  -0.40050 -1.0 2.0
   34    33    42    43   0.34700  1.0 3.0
   38    33    42    43  -0.32850  1.0 1.0
   38    33    42    43  -0.35800 -1.0 2.0
   38    33    42    43   0.33950  1.0 3.0
   42    33    38    39   0.23400  1.0 3.0
   42    33    38    40   0.23400  1.0 3.0
   42    33    38    41   0.23400  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    46   3.62500 -1.0 2.0
   42    43    53    49   3.62500 -1.0 2.0
   42    43    53    54   3.62500 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44    46    48   3.62500 -1.0 2.0
   43    53    54    55   1.63200 -1.0 2.0
   44    43    53    49   3.62500 -1.0 2.0
   44    43    53    54   3.62500 -1.0 2.0
   44    46   -48    49   3.62500 -1.0 2.0
   44    46    48    50   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    49    53   3.62500 -1.0 2.0
   46    48    49    86   3.62500 -1.0 2.0
   46    48    50    72   0.04150 -1.0 2.0
   46    48    50    51   0.00000  1.0 1.0
   46    48    50    52   0.00000  1.0 1.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    50   3.62500 -1.0 2.0
   48    49   -53    43   3.62500 -1.0 2.0
   48    49    53    54   3.62500 -1.0 2.0
   48    49    86    55   0.04150 -1.0 2.0
   48    49    86    66   0.04150 -1.0 2.0
   48    49    86    83   0.04150 -1.0 2.0
   49    48    50    72   0.04150 -1.0 2.0
   49    48    50    51   0.00000  1.0 1.0
   49    48    50    52   0.00000  1.0 1.0
   49    53   -54    55   1.63200 -1.0 2.0
   53    43    44    45   3.62500 -1.0 2.0
   53    43   -44    46   3.62500 -1.0 2.0
   53    49   -86    55   0.04150 -1.0 2.0
   53    49    86    66   0.04150 -1.0 2.0
   53    49    86    83   0.04150 -1.0 2.0
   53    54    55    56   0.08050  1.0 3.0
   53    54    55    57  -0.32850  1.0 1.0
   53    54    55    57  -0.35800 -1.0 2.0
   53    54    55    57   0.33950  1.0 3.0
   53    54   -55    86  -0.32850  1.0 1.0
   53    54   -55    86  -0.35800 -1.0 2.0
   53    54   -55    86   0.33950  1.0 3.0
   54    55    57    58   0.23400  1.0 3.0
   54    55    57    59   0.61850  1.0 1.0
   54    55    57    59  -0.22750 -1.0 2.0
   54    55    57    59   0.15300  1.0 3.0
   54    55    57    61   1.11900  1.0 1.0
   54    55    57    61  -1.16350 -1.0 2.0
   54    55    57    61  -0.34150  1.0 3.0
   54    55   -86    49  -0.64350  1.0 1.0
   54    55   -86    49  -0.04200 -1.0 2.0
   54    55   -86    49   0.19800  1.0 3.0
   54    55    86    66   0.62750  1.0 1.0
   54    55    86    66  -0.30950 -1.0 2.0
   54    55    86    66   0.27300  1.0 3.0
   54    55    86    83   0.62750  1.0 1.0
   54    55    86    83  -0.30950 -1.0 2.0
   54    55    86    83   0.27300  1.0 3.0
   55    57    59    60   0.00000  1.0 1.0
   55    57    59    62   0.09850  1.0 1.0
   55    57    59    62   0.15250 -1.0 2.0
   55    57    59    62  -0.50650  1.0 3.0
   55    57    61    64  -0.25900  1.0 1.0
   55    57    61    64  -0.47000 -1.0 2.0
   55    57    61    64   0.11750  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    61   0.23400  1.0 3.0
   56    55    86    49   0.43200  1.0 3.0
   56    55    86    66   0.15000  1.0 3.0
   56    55    86    83   0.15000  1.0 3.0
   57    55    86    49  -0.03700  1.0 1.0
   57    55    86    49   0.37200 -1.0 2.0
   57    55    86    49  -0.47300  1.0 3.0
   57    55    86    66   0.56750  1.0 1.0
   57    55    86    66  -0.07550 -1.0 2.0
   57    55    86    66   0.20000  1.0 3.0
   57    55    86    83   0.56750  1.0 1.0
   57    55    86    83  -0.07550 -1.0 2.0
   57    55    86    83   0.20000  1.0 3.0
   57    59    62    63   7.00000 -1.0 2.0
   57    59   -62    66   7.00000 -1.0 2.0
   57    61    64    65   3.00000 -1.0 2.0
   57    61    64    68   1.63150  1.0 1.0
   57    61    64    68   2.92000 -1.0 2.0
   58    57    59    60   0.33100  1.0 3.0
   58    57    59    62   0.00000  1.0 1.0
   58    57    61    64   0.08050  1.0 3.0
   59    57    61    64  -0.82050  1.0 1.0
   59    57    61    64   0.00600 -1.0 2.0
   59    57    61    64   0.04400  1.0 3.0
   59    62    66    67   0.00000  1.0 1.0
   59    62    66    72   0.09850  1.0 1.0
   59    62    66    72   0.15250 -1.0 2.0
   59    62    66    72  -0.50650  1.0 3.0
   59    62    66    86   0.09850  1.0 1.0
   59    62    66    86   0.15250 -1.0 2.0
   59    62    66    86  -0.50650  1.0 3.0
   60    59    62    63   7.00000 -1.0 2.0
   60    59    62    66   7.00000 -1.0 2.0
   62    66    72    73   0.15000  1.0 3.0
   62    66    72    50   0.34400  1.0 1.0
   62    66    72    50   0.09450 -1.0 2.0
   62    66    72    50   0.11100  1.0 3.0
   62    66    72    74  -0.47300  1.0 1.0
   62    66    72    74   0.29700 -1.0 2.0
   62    66    72    74   0.83300  1.0 3.0
   62    66    86    49   0.21200  1.0 1.0
   62    66    86    49   0.16900 -1.0 2.0
   62    66    86    49  -1.15100  1.0 3.0
   62    66   -86    55   0.34400  1.0 1.0
   62    66   -86    55   0.09450 -1.0 2.0
   62    66   -86    55   0.11100  1.0 3.0
   62    66    86    83   0.34400  1.0 1.0
   62    66    86    83   0.09450 -1.0 2.0
   62    66    86    83   0.11100  1.0 3.0
   63    62    66    67   0.33100  1.0 3.0
   63    62    66    72   0.00000  1.0 1.0
   63    62    66    86   0.00000  1.0 1.0
   66    72   -50    48  -0.03700  1.0 1.0
   66    72   -50    48   0.37200 -1.0 2.0
   66    72   -50    48  -0.47300  1.0 3.0
   66    72    50    51   0.15000  1.0 3.0
   66    72    50    52   0.15000  1.0 3.0
   66    72    74    75   0.17350  1.0 3.0
   66    72    74    76   0.47100  1.0 1.0
   66    72    74    79   0.47100  1.0 1.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    50   0.15000  1.0 3.0
   67    66    72    74   0.19200  1.0 3.0
   67    66    86    49   0.43200  1.0 3.0
   67    66    86    55   0.15000  1.0 3.0
   67    66    86    83   0.15000  1.0 3.0
   72    66   -86    49  -0.03700  1.0 1.0
   72    66   -86    49   0.37200 -1.0 2.0
   72    66   -86    49  -0.47300  1.0 3.0
   72    66    86    55   0.56750  1.0 1.0
   72    66    86    55  -0.07550 -1.0 2.0
   72    66    86    55   0.20000  1.0 3.0
   72    66    86    83   0.56750  1.0 1.0
   72    66    86    83  -0.07550 -1.0 2.0
   72    66    86    83   0.20000  1.0 3.0
   72    74    76    77   0.15000  1.0 3.0
   72    74    76    78   0.15000  1.0 3.0
   72    74   -76    83   0.47100  1.0 1.0
   72    74    79    80   0.15000  1.0 3.0
   72    74    79    81   0.15000  1.0 3.0
   72    74    79    82   0.15000  1.0 3.0
   73    72    50    48   0.43200  1.0 3.0
   73    72    50    51   0.15000  1.0 3.0
   73    72    50    52   0.15000  1.0 3.0
   73    72    74    75   0.13050  1.0 3.0
   73    72    74    76   0.15000  1.0 3.0
   73    72    74    79   0.15000  1.0 3.0
   50    48    49    53   3.62500 -1.0 2.0
   50    48    49    86   3.62500 -1.0 2.0
   50    72    74    75   0.17350  1.0 3.0
   50    72    74    76   0.47100  1.0 1.0
   50    72    74    79   0.47100  1.0 1.0
   74    72    50    48   1.24050  1.0 1.0
   74    72    50    48   0.48100 -1.0 2.0
   74    72    50    48   1.08150  1.0 3.0
   74    72    50    51   0.19200  1.0 3.0
   74    72    50    52   0.19200  1.0 3.0
   74    76    83    84   0.19200  1.0 3.0
   74    76    83    85   0.19200  1.0 3.0
   74    76    83    86   1.36600  1.0 1.0
   74    76    83    86  -0.11450 -1.0 2.0
   74    76    83    86   0.24250  1.0 3.0
   75    74    76    77   0.13050  1.0 3.0
   75    74    76    78   0.13050  1.0 3.0
   75    74    76    83   0.17350  1.0 3.0
   75    74    79    80   0.13050  1.0 3.0
   75    74    79    81   0.13050  1.0 3.0
   75    74    79    82   0.13050  1.0 3.0
   76    74    79    80   0.15000  1.0 3.0
   76    74    79    81   0.15000  1.0 3.0
   76    74    79    82   0.15000  1.0 3.0
   76    83    86    49  -0.03700  1.0 1.0
   76    83    86    49   0.37200 -1.0 2.0
   76    83    86    49  -0.47300  1.0 3.0
   76    83    86    55   0.56750  1.0 1.0
   76    83    86    55  -0.07550 -1.0 2.0
   76    83    86    55   0.20000  1.0 3.0
   76    83   -86    66   0.56750  1.0 1.0
   76    83   -86    66  -0.07550 -1.0 2.0
   76    83   -86    66   0.20000  1.0 3.0
   77    76    83    84   0.15000  1.0 3.0
   77    76    83    85   0.15000  1.0 3.0
   77    76    83    86   0.15000  1.0 3.0
   78    76    83    84   0.15000  1.0 3.0
   78    76    83    85   0.15000  1.0 3.0
   78    76    83    86   0.15000  1.0 3.0
   84    83    86    49   0.43200  1.0 3.0
   84    83    86    55   0.15000  1.0 3.0
   84    83    86    66   0.15000  1.0 3.0
   85    83    86    49   0.43200  1.0 3.0
   85    83    86    55   0.15000  1.0 3.0
   85    83    86    66   0.15000  1.0 3.0
   86    49    53    43   3.62500 -1.0 2.0
   86    49   -53    54   3.62500 -1.0 2.0
   86    55    57    58   0.15000  1.0 3.0
   86    55   -57    59   0.34400  1.0 1.0
   86    55   -57    59   0.09450 -1.0 2.0
   86    55   -57    59   0.11100  1.0 3.0
   86    55    57    61   0.62750  1.0 1.0
   86    55    57    61  -0.30950 -1.0 2.0
   86    55    57    61   0.27300  1.0 3.0
   86    66    72    73   0.15000  1.0 3.0
   86    66   -72    50   0.56750  1.0 1.0
   86    66   -72    50  -0.07550 -1.0 2.0
   86    66   -72    50   0.20000  1.0 3.0
   86    66   -72    74   1.36600  1.0 1.0
   86    66   -72    74  -0.11450 -1.0 2.0
   86    66   -72    74   0.24250  1.0 3.0
   79    74    76    77   0.15000  1.0 3.0
   79    74    76    78   0.15000  1.0 3.0
   79    74    76    83   0.47100  1.0 1.0
   61    57    59    60   0.00000  1.0 1.0
   61    57    59    62   0.39000  1.0 1.0
   61    57    59    62  -0.05800 -1.0 2.0
   61    57    59    62  -0.55150  1.0 3.0
   61    64    68    69   0.00000  1.0 1.0
   61    64    68    70   0.00000  1.0 1.0
   61    64    68    71   0.00000  1.0 1.0
   65    64    68    69   0.00000  1.0 1.0
   65    64    68    70   0.00000  1.0 1.0
   65    64    68    71   0.00000  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
   44    53    43    42   4.00000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   49    50    48    46   4.00000 -1.0 2.0
   53    86    49    48   4.00000 -1.0 2.0
   49    54    53    43   4.00000 -1.0 2.0
   57    60    59    62   1.10000 -1.0 2.0
   66    63    62    59   1.10000 -1.0 2.0
   61    68    64    65  10.50000 -1.0 2.0
END
