* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    154    237     447
    1     0 S   NP   _N1_     1    28.09585    97.26978   -22.90222
    2     1 S   H    _HN1     2     1.02957    70.47591     3.91952
    3     1 S   H    _H1_     3     1.02835    39.51659   160.68829
    4     1 S   H    _H2_     4     1.02777   105.91663  -100.32017
    5     1 S   CT   _CA1     5     1.50140   138.60028   102.94185
    6     5 S   HC   _HA1     6     1.09576   105.19605    94.31304
    7     5 S   CO3  _C1_     7     1.53773   112.34013   -25.83428
    8     7 S   O2Z  _O11     8     1.26366   114.99289   -44.16626
    9     7 S   O2Z  _O12     9     1.26233   114.92561   134.83597
   10     5 S   CT   _CB1    10     1.53089   107.41021  -147.81664
   11    10 S   HC   HB11    11     1.09829   109.28291   -50.53933
   12    10 S   HC   HB12    12     1.09814   110.45041    65.99968
   13    10 S   CT   _CG1    13     1.53031   112.69895  -171.60635
   14    13 S   HC   HG11    14     1.09592   110.50766   -65.27769
   15    13 S   HC   HG12    15     1.09660   109.89433    53.92872
   16    13 S   C    _CD1    16     1.51860   112.27348   174.25922
   17    16 S   O    _OE1    17     1.22762   123.25006     1.72680
   18    16 S   N    _N2_    18     1.38574   111.75903  -178.22767
   19    18 S   H    _HN2    19     1.01558   119.00499     4.19400
   20    18 S   CT1  _CA2    20     1.45727   122.81115   177.34200
   21    20 S   HC   _HA2    21     1.09769   108.81992    24.44300
   22    20 S   C    _C2_    22     1.52971   107.68780   -92.16222
   23    22 S   O    _O2_    23     1.22925   123.21561   -25.91114
   24    20 S   CT   _CB2    32     1.53242   112.23208   147.64583
   25    24 S   HC   HB21    33     1.09580   110.57202    46.45352
   26    24 S   HC   HB22    34     1.09253   109.63611   164.82375
   27    22 S   N    _N3_    24     1.38590   112.19948   156.83047
   28    27 S   H    _HN3    25     1.01656   120.22275    -2.12366
   29    24 S   S    _SG2    35     1.83033   110.57118   -73.65735
   30    27 S   CT   _CA3    26     1.45300   122.83397   177.78539
   31    30 S   HC   HA31    27     1.09562   107.66476   -57.77140
   32    30 S   HC   HA32    28     1.09548   107.78178    58.62110
   33    29 S   CT   _C8_    36     1.89634   102.06240  -156.32644
   34    30 S   CO3  _C3_    29     1.52965   114.12845  -179.66428
   35    34 S   O2Z  _O31    30     1.26366   116.06116    -5.63023
   36    34 S   O2Z  _O32    31     1.26437   114.43837   174.52425
   37    33 S   CT   _C7_    37     1.57541   106.88687    70.38552
   38    37 S   HC   _H11    38     1.08749   110.48997    85.87852
   39    37 S   HC   _H12    39     1.09664   109.13525   -25.38052
   40    33 S   CT   _C9_    59     1.60495   109.55846  -169.72479
   41    40 S   OM   _O38    60     1.32785   110.62067    64.14815
   42    40 S   HC   _H4_    61     1.08870   102.92043  -171.40536
   43    33 S   CT   _C20    77     1.54833   108.09552   -49.10768
   44    43 S   HC   _H22    78     1.09623   112.33084   -51.14990
   45    43 S   HC   _H23    79     1.09551   110.95579  -170.77512
   46    43 S   HC   _H24    80     1.09473   112.33670    69.65550
   47    37 S   CT   _C6_    40     1.54882   120.46874  -147.18383
   48    47 S   HC   _H3_    41     1.09507   108.70045    52.31584
   49    47 S   CT   _C15    42     1.54694   117.54709   -71.12035
   50    49 S   HC   _H7_    43     1.09660   108.56475    61.06157
   51    47 S   OS   _O34    70     1.45833   106.53566   168.79278
   52    49 S   CM   _C16    44     1.49990   114.53794   179.49681
   53    51 S   CO4  _C5_    71     1.36454   117.57093   -89.36455
   54    53 S   O    _O33    72     1.22321   126.33652     0.20077
   55    52 S   CO4  _C18    45     1.47460   109.54319   143.19322
   56    55 S   O    _O36    46     1.21783   126.97895   171.86182
   57    52 S   CM   _C17    67     1.33708   129.83737   -36.15900
   58    57 S   HC   _H17    68     1.08434   121.47688    -0.86434
   59    57 S   HC   _H18    69     1.08551   121.68226   179.56795
   60    53 S   CT   _C4_    73     1.49796   109.50242   179.73312
   61    60 S   HC   _H8_    74     1.09265   109.75437   -67.02638
   62    60 S   HC   _H9_    75     1.09371   109.36431   173.51714
   63    60 S   HC   _H10    76     1.09314   109.89278    54.84909
   64    55 S   OS   _O37    47     1.35831   107.36173    -7.12494
   65    49 S   CT   _C14    48     1.54261   116.41808   -64.19072
   66    65 S   HC   _H6_    49     1.09378   112.20866   -29.68582
   67    65 S   C3T  _C13    50     1.49052   110.89078    97.01044
   68    67 S   HC   _H5_    51     1.08355   111.88996    44.90694
   69    67 S   C3T  _C12    52     1.52142   121.73595  -109.66765
   70    69 S   CT   _C11    53     1.50788   114.71985   143.30104
   71    70 S   HC   _H15    54     1.09685   108.71610   153.17883
   72    70 S   HC   _H16    55     1.09689   111.40424    36.30800
   73    67 S   O3T  _O35    62     1.42729   120.36489  -179.08828
   74    69 S   CT   _C19    63     1.50419   125.66743   -17.35036
   75    74 S   HC   _H19    64     1.09433   112.40638   -23.64404
   76    74 S   HC   _H20    65     1.09572   109.70872  -142.53107
   77    74 S   HC   _H21    66     1.09204   112.15688    98.17700
   78    70 S   CT   _C10    56     1.54900   111.67505   -86.79744
   79    78 S   HC   _H13    57     1.10093   106.74310  -163.25502
   80    78 S   HC   _H14    58     1.09479   108.24751   -50.96052
  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
  18   2   1   1  18   7   6  14   6   5   5   2   1   1  14   6
  16   8   8   9   5   4   8   3   4   1   1   3   2   1   1   6
   7   4  11   4  11  10   6   5   5   4   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    47    78    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    47    48    49    70    78    79    80    40    41    42    51    43    44    45    46  
   35    36  
   36  
    0  
   38    39    47    48    49    50    52    65    78    40    41    42    51    53    43    44    45    46  
   39    47    48    49    40    51    43  
   47    48    49    40    51    43  
   41    42    43    44    45    46    47    69    70    71    72    78    79    80  
   42    43    70    78    79    80  
   43    70    78    79    80  
   44    45    46    47    78  
   45    46  
   46  
    0  
   48    49    50    52    55    64    65    66    67    57    51    53    54    60  
   49    50    52    65    51    53  
   50    52    55    56    64    65    66    67    68    69    73    57    58    59    51    53  
   52    55    64    65    66    67    57    51  
   53    54    60    61    62    63    52    65  
   55    56    64    65    66    67    57    58    59  
   54    60    61    62    63  
   60    61    62    63  
   56    64    65    66    67    57    58    59  
   64    65    57  
   58    59    64    65  
   59  
    0  
   61    62    63  
   62    63  
   63  
    0  
   65    66    67    68    69    73  
   66    67    68    69    70    73    74  
   67    68    69    73  
   68    69    70    71    72    78    73    74    75    76    77  
   69    70    73    74  
   70    71    72    78    79    80    73    74    75    76    77  
   71    72    78    79    80    73    74    75    76    77  
   72    78    79    80    73    74  
   78    79    80    73    74  
   74    75    76    77    78  
   75    76    77    78  
   76    77  
   77  
    0  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    51   320.000  1.410
   49    50   340.000  1.090
   49    52   317.000  1.510
   49    65   268.000  1.529
   52    55   320.000  1.462
   52    57   549.000  1.340
   55    56   570.000  1.229
   55    64   214.000  1.327
   64    65   320.000  1.410
   65    66   340.000  1.090
   65    67   275.000  1.510
   67    68   340.000  1.088
   67    69   260.000  1.509
   67    73   335.000  1.432
   69    70   275.000  1.510
   69    73   335.000  1.432
   69    74   275.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    40   268.000  1.529
   40    41   570.000  1.307
   40    42   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   57    58   340.000  1.080
   57    59   340.000  1.080
   51    53   214.000  1.327
   53    54   570.000  1.229
   53    60   317.000  1.522
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   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    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    47    58.35000  112.70000
   33    40    78    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    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    37.50000  110.70000
   37    47    49    58.35000  112.70000
   37    47    51    50.00000  109.50000
   39    37    38    33.00000  107.80000
   47    37    38    37.50000  110.70000
   47    37    39    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    52    70.00000  112.02700
   47    49    65    58.35000  112.70000
   47    51    53    83.00000  116.90000
   49    47    48    37.50000  110.70000
   49    52    55    65.00000  116.34900
   49    52    57    70.00000  124.00000
   49    65    64    50.00000  109.50000
   49    65    66    37.50000  110.70000
   49    65    67    70.00000  112.37300
   52    49    50    35.00000  109.50000
   52    55    56    80.00000  123.72100
   52    55    64    90.00000  111.29400
   52    57    58    35.00000  120.00000
   52    57    59    35.00000  120.00000
   55    64    65    83.00000  116.90000
   64    55    56    83.00000  123.40000
   64    65    66    35.00000  109.50000
   64    65    67    50.00000  109.50000
   65    49    50    37.50000  110.70000
   65    49    52    70.00000  112.02700
   65    67    68    40.00000  115.04500
   65    67    69    60.00000  120.94000
   65    67    73    80.00000  116.47100
   67    65    66    45.00000  109.38400
   67    69    70    60.00000  120.94000
   67    69    73    15.00000   60.43100
   67    69    74    60.00000  120.94000
   67    73    69    15.00000   59.14900
   69    67    68    37.50000  117.20000
   69    70    71    45.00000  109.38400
   69    70    72    45.00000  109.38400
   69    70    78    70.00000  112.37300
   69    74    75    45.00000  109.38400
   69    74    76    45.00000  109.38400
   69    74    77    45.00000  109.38400
   70    78    79    37.50000  110.70000
   70    78    80    37.50000  110.70000
   70    78    40    58.35000  112.70000
   72    70    71    33.00000  107.80000
   78    70    71    37.50000  110.70000
   78    70    72    37.50000  110.70000
   78    40    41    50.00000  109.50000
   78    40    42    37.50000  110.70000
   80    78    79    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    78    79    37.50000  110.70000
   40    78    80    37.50000  110.70000
   42    40    41    45.00000  125.66300
   73    67    68    50.00000  114.27700
   73    67    69    15.00000   60.43100
   73    69    70    80.00000  116.47100
   74    69    70    58.35000  112.70000
   74    69    73    80.00000  116.47100
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   57    52    55    65.00000  118.96000
   59    57    58    35.00000  117.00000
   51    47    48    35.00000  109.50000
   51    47    49    50.00000  109.50000
   51    53    54    83.00000  123.40000
   51    53    60    81.00000  111.40000
   53    60    61    35.00000  109.50000
   53    60    62    35.00000  109.50000
   53    60    63    35.00000  109.50000
   60    53    54    80.00000  120.40000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    40    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    39   0.15000  1.0 3.0
   29    33    37    47   0.44750  1.0 1.0
   29    33    37    47  -0.17800 -1.0 2.0
   29    33    37    47   0.20200  1.0 3.0
   29    33    40    78   0.44750  1.0 1.0
   29    33    40    78  -0.17800 -1.0 2.0
   29    33    40    78   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    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   0.15000  1.0 3.0
   33    37    47    49   0.56750  1.0 1.0
   33    37    47    49  -0.07550 -1.0 2.0
   33    37    47    49   0.20000  1.0 3.0
   33    37    47    51   0.62750  1.0 1.0
   33    37    47    51  -0.30950 -1.0 2.0
   33    37    47    51   0.27300  1.0 3.0
   37    33    40    78   0.56750  1.0 1.0
   37    33    40    78  -0.07550 -1.0 2.0
   37    33    40    78   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    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    49    50   0.15000  1.0 3.0
   37    47    49    52   0.34400  1.0 1.0
   37    47    49    52   0.09450 -1.0 2.0
   37    47    49    52   0.11100  1.0 3.0
   37    47    49    65   0.56750  1.0 1.0
   37    47    49    65  -0.07550 -1.0 2.0
   37    47    49    65   0.20000  1.0 3.0
   37    47    51    53  -0.25900  1.0 1.0
   37    47    51    53  -0.47000 -1.0 2.0
   37    47    51    53   0.11750  1.0 3.0
   38    37    47    48   0.15000  1.0 3.0
   38    37    47    49   0.15000  1.0 3.0
   38    37    47    51   0.23400  1.0 3.0
   39    37    47    48   0.15000  1.0 3.0
   39    37    47    49   0.15000  1.0 3.0
   39    37    47    51   0.23400  1.0 3.0
   47    49    52    55   0.09700  1.0 1.0
   47    49    52    55   0.15600 -1.0 2.0
   47    49    52    55  -0.50800  1.0 3.0
   47    49    52    57   0.09850  1.0 1.0
   47    49    52    57   0.15250 -1.0 2.0
   47    49    52    57  -0.50650  1.0 3.0
   47    49    65    64   0.62750  1.0 1.0
   47    49    65    64  -0.30950 -1.0 2.0
   47    49    65    64   0.27300  1.0 3.0
   47    49    65    66   0.15000  1.0 3.0
   47    49    65    67   0.47050  1.0 1.0
   47    49    65    67   0.03900 -1.0 2.0
   47    49    65    67   0.20100  1.0 3.0
   47    51    53    54   3.00000 -1.0 2.0
   47    51    53    60   1.63150  1.0 1.0
   47    51    53    60   2.92000 -1.0 2.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    52   0.15000  1.0 3.0
   48    47    49    65   0.15000  1.0 3.0
   48    47    51    53   0.08050  1.0 3.0
   49    47    51    53  -0.25900  1.0 1.0
   49    47    51    53  -0.47000 -1.0 2.0
   49    47    51    53   0.11750  1.0 3.0
   49    52    55    56  -0.64400  1.0 1.0
   49    52    55    56   0.26850 -1.0 2.0
   49    52   -55    64  -0.15000  1.0 1.0
   49    52   -55    64   0.89550 -1.0 2.0
   49    52   -55    64  -0.06900  1.0 3.0
   49    52    57    58   7.00000 -1.0 2.0
   49    52    57    59   7.00000 -1.0 2.0
   49    65    67    68   0.15000  1.0 3.0
   49    65    67    69   0.07850  1.0 1.0
   49    65    67    69  -0.03950 -1.0 2.0
   49    65    67    69   0.67350  1.0 3.0
   49    65    67    73   0.02550  1.0 1.0
   49    65    67    73  -0.02600 -1.0 2.0
   49    65    67    73   1.20400  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   50    49    52    57   0.00000  1.0 1.0
   50    49    65    64   0.23400  1.0 3.0
   50    49    65    66   0.15000  1.0 3.0
   50    49    65    67   0.15000  1.0 3.0
   52    49   -65    64   0.61850  1.0 1.0
   52    49   -65    64  -0.22750 -1.0 2.0
   52    49   -65    64   0.15300  1.0 3.0
   52    49    65    66   0.15000  1.0 3.0
   52    49    65    67   0.34400  1.0 1.0
   52    49    65    67   0.09450 -1.0 2.0
   52    49    65    67   0.11100  1.0 3.0
   52    55   -64    65   2.00000 -1.0 2.0
   55    52    57    58   7.00000 -1.0 2.0
   55    52    57    59   7.00000 -1.0 2.0
   55    64   -65    49  -0.25900  1.0 1.0
   55    64   -65    49  -0.47000 -1.0 2.0
   55    64   -65    49   0.11750  1.0 3.0
   55    64    65    66   0.08050  1.0 3.0
   55    64    65    67  -0.25900  1.0 1.0
   55    64    65    67  -0.47000 -1.0 2.0
   55    64    65    67   0.11750  1.0 3.0
   56    55    64    65   3.00000 -1.0 2.0
   64    65    67    68   0.23400  1.0 3.0
   64    65    67    69  -0.26800  1.0 1.0
   64    65    67    69   0.69150 -1.0 2.0
   64    65    67    69  -0.48750  1.0 3.0
   64    65    67    73   1.11900  1.0 1.0
   64    65    67    73  -1.16350 -1.0 2.0
   64    65    67    73  -0.34150  1.0 3.0
   65    49   -52    55   0.09700  1.0 1.0
   65    49   -52    55   0.15600 -1.0 2.0
   65    49   -52    55  -0.50800  1.0 3.0
   65    49    52    57   0.09850  1.0 1.0
   65    49    52    57   0.15250 -1.0 2.0
   65    49    52    57  -0.50650  1.0 3.0
   65    67    69    70   0.56750  1.0 1.0
   65    67    69    70  -0.07550 -1.0 2.0
   65    67    69    70   0.20000  1.0 3.0
   65    67   -69    73   0.02550  1.0 1.0
   65    67   -69    73  -0.02600 -1.0 2.0
   65    67   -69    73   1.20400  1.0 3.0
   65    67    69    74   0.56750  1.0 1.0
   65    67    69    74  -0.07550 -1.0 2.0
   65    67    69    74   0.20000  1.0 3.0
   65    67   -73    69   0.06250  1.0 1.0
   65    67   -73    69  -0.01100 -1.0 2.0
   65    67   -73    69   0.28050  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    73   0.23400  1.0 3.0
   67    69    70    71   0.15000  1.0 3.0
   67    69    70    72   0.15000  1.0 3.0
   67    69    70    78   0.07850  1.0 1.0
   67    69    70    78  -0.03950 -1.0 2.0
   67    69    70    78   0.67350  1.0 3.0
   67    69    74    75   0.15000  1.0 3.0
   67    69    74    76   0.15000  1.0 3.0
   67    69    74    77   0.15000  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67   -69    73   0.23400  1.0 3.0
   68    67    69    74   0.15000  1.0 3.0
   68    67   -73    69   0.36800  1.0 3.0
   69    70    78    79   0.15000  1.0 3.0
   69    70    78    80   0.15000  1.0 3.0
   69    70    78    40   0.47050  1.0 1.0
   69    70    78    40   0.03900 -1.0 2.0
   69    70    78    40   0.20100  1.0 3.0
   70    69   -73    67   0.06250  1.0 1.0
   70    69   -73    67  -0.01100 -1.0 2.0
   70    69   -73    67   0.28050  1.0 3.0
   70    69    74    75   0.15000  1.0 3.0
   70    69    74    76   0.15000  1.0 3.0
   70    69    74    77   0.15000  1.0 3.0
   70    78    40    33   0.56750  1.0 1.0
   70    78    40    33  -0.07550 -1.0 2.0
   70    78    40    33   0.20000  1.0 3.0
   70    78    40    41   0.62750  1.0 1.0
   70    78    40    41  -0.30950 -1.0 2.0
   70    78    40    41   0.27300  1.0 3.0
   70    78    40    42   0.15000  1.0 3.0
   71    70    78    79   0.15000  1.0 3.0
   71    70    78    80   0.15000  1.0 3.0
   71    70    78    40   0.15000  1.0 3.0
   72    70    78    79   0.15000  1.0 3.0
   72    70    78    80   0.15000  1.0 3.0
   72    70    78    40   0.15000  1.0 3.0
   79    78    40    33   0.15000  1.0 3.0
   79    78    40    41   0.23400  1.0 3.0
   79    78    40    42   0.15000  1.0 3.0
   80    78    40    33   0.15000  1.0 3.0
   80    78    40    41   0.23400  1.0 3.0
   80    78    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    47   0.56750  1.0 1.0
   40    33    37    47  -0.07550 -1.0 2.0
   40    33    37    47   0.20000  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    45   0.15000  1.0 3.0
   40    33    43    46   0.15000  1.0 3.0
   73    67   -69    70   0.02550  1.0 1.0
   73    67   -69    70  -0.02600 -1.0 2.0
   73    67   -69    70   1.20400  1.0 3.0
   73    67   -69    74   0.02550  1.0 1.0
   73    67   -69    74  -0.02600 -1.0 2.0
   73    67   -69    74   1.20400  1.0 3.0
   73    69    70    71   0.23400  1.0 3.0
   73    69    70    72   0.23400  1.0 3.0
   73    69    70    78   0.02550  1.0 1.0
   73    69    70    78  -0.02600 -1.0 2.0
   73    69    70    78   1.20400  1.0 3.0
   73    69    74    75   0.23400  1.0 3.0
   73    69    74    76   0.23400  1.0 3.0
   73    69    74    77   0.23400  1.0 3.0
   74    69    70    71   0.15000  1.0 3.0
   74    69    70    72   0.15000  1.0 3.0
   74    69    70    78   0.56750  1.0 1.0
   74    69    70    78  -0.07550 -1.0 2.0
   74    69    70    78   0.20000  1.0 3.0
   74    69   -73    67   0.06250  1.0 1.0
   74    69   -73    67  -0.01100 -1.0 2.0
   74    69   -73    67   0.28050  1.0 3.0
   57    52    55    56   1.00000 -1.0 2.0
   57    52    55    64  -0.56150  1.0 1.0
   57    52    55    64   2.19150 -1.0 2.0
   51    47    49    50   0.23400  1.0 3.0
   51    47    49    52   0.61850  1.0 1.0
   51    47    49    52  -0.22750 -1.0 2.0
   51    47    49    52   0.15300  1.0 3.0
   51    47    49    65   0.62750  1.0 1.0
   51    47    49    65  -0.30950 -1.0 2.0
   51    47    49    65   0.27300  1.0 3.0
   51    53    60    61   0.00000  1.0 1.0
   51    53    60    62   0.00000  1.0 1.0
   51    53    60    63   0.00000  1.0 1.0
   54    53    60    61   0.00000  1.0 1.0
   54    53    60    62   0.00000  1.0 1.0
   54    53    60    63   0.00000  1.0 1.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    47   0.56750  1.0 1.0
   43    33    37    47  -0.07550 -1.0 2.0
   43    33    37    47   0.20000  1.0 3.0
   43    33    40    78   0.56750  1.0 1.0
   43    33    40    78  -0.07550 -1.0 2.0
   43    33    40    78   0.20000  1.0 3.0
   43    33    40    41   0.62750  1.0 1.0
   43    33    40    41  -0.30950 -1.0 2.0
   43    33    40    41   0.27300  1.0 3.0
   43    33    40    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
   49    55    52    57   1.10000 -1.0 2.0
   52    64    55    56  10.50000 -1.0 2.0
   58    59    57    52   1.10000 -1.0 2.0
   51    60    53    54  10.50000 -1.0 2.0
END
