* LIGAND DATABASE FILE (OPLS2005)
*
001      90    90    167    254     495
    1     0 S   NP   _N1_     1    28.53655    95.34150   -21.13912
    2     1 S   H    _HN1     2     1.02965    86.90418    45.80492
    3     1 S   H    _H1_     3     1.02831    35.38911   171.45737
    4     1 S   H    _H2_     4     1.02776    87.81176   -62.68632
    5     1 S   CT   _CA1     5     1.50118   146.12428   168.79848
    6     5 S   HC   _HA1     6     1.09589   105.19654    60.67806
    7     5 S   CO3  _C1_     7     1.53770   112.44592   -59.30560
    8     7 S   O2Z  _O11     8     1.26337   115.01327   -43.67152
    9     7 S   O2Z  _O12     9     1.26249   114.87163   135.41320
   10     5 S   CT   _CB1    10     1.53092   107.39053   178.35289
   11    10 S   HC   HB11    11     1.09814   109.13305   -52.94391
   12    10 S   HC   HB12    12     1.09821   110.47777    63.55255
   13    10 S   CT   _CG1    13     1.52949   112.68066  -174.23102
   14    13 S   HC   HG11    14     1.09569   110.06645   -66.02449
   15    13 S   HC   HG12    15     1.09647   110.15995    53.12430
   16    13 S   C    _CD1    16     1.51807   112.50665   173.44665
   17    16 S   O    _OE1    17     1.22713   123.28656    -6.72957
   18    16 S   N    _N2_    18     1.38608   111.57553   173.89417
   19    18 S   H    _HN2    19     1.01545   118.97757     0.64771
   20    18 S   CT1  _CA2    20     1.46205   123.56525  -179.25928
   21    20 S   HC   _HA2    21     1.09730   109.36818   -14.11264
   22    20 S   C    _C2_    22     1.53441   108.21323  -129.80925
   23    22 S   O    _O2_    23     1.23013   122.26366  -146.10507
   24    20 S   CT   _CB2    32     1.53439   111.36912   108.12114
   25    24 S   HC   HB21    33     1.09592   109.66161    54.29449
   26    24 S   HC   HB22    34     1.09447   110.38319   173.19286
   27    22 S   N    _N3_    24     1.38518   113.35330    41.23661
   28    27 S   H    _HN3    25     1.01533   118.88772    -0.64498
   29    24 S   S    _SG2    35     1.82806   111.59670   -67.02125
   30    27 S   CT   _CA3    26     1.45451   123.51712   175.20404
   31    30 S   HC   HA31    27     1.09518   109.31077    22.86151
   32    30 S   HC   HA32    28     1.09498   107.10131   139.87454
   33    29 S   CT   _C11    36     1.84396    99.89762   160.61652
   34    33 S   HC   _H3_    37     1.09471   105.53938   -43.80948
   35    30 S   CO3  _C3_    29     1.52920   113.06721  -100.66961
   36    35 S   O2Z  _O31    30     1.26406   115.38736   -44.80031
   37    35 S   O2Z  _O32    31     1.26351   114.99362   136.11999
   38    33 S   CT   _C12    38     1.54080   110.99078    73.98619
   39    38 S   HC   _H4_    39     1.09701   111.57967   -40.07731
   40    33 S   CT   _C10    70     1.53904   108.50015  -159.77940
   41    40 S   HC   _H18    71     1.09564   111.62928  -164.97409
   42    40 S   HC   _H19    72     1.09684   112.37103   -46.28827
   43    38 S   CO4  _C16    40     1.52208   115.05569    81.74493
   44    43 S   O    _O34    41     1.22480   124.63073   -46.69063
   45    40 S   CO4  _C9_    73     1.51998   111.73477    75.84291
   46    45 S   O    _O33    74     1.23079   121.17800   -99.78649
   47    43 S   CT   _C15    42     1.50854   112.40953   133.21802
   48    47 S   HC   _H20    43     1.09255   110.26542   133.90515
   49    47 S   HC   _H21    44     1.09375   108.24093  -103.97525
   50    45 S   CT   _C8_    75     1.51882   116.76045    81.69432
   51    50 S   HC   _H16    76     1.09576   106.95734    94.32556
   52    50 S   HC   _H17    77     1.09472   109.48613   -21.65619
   53    47 S   CT   _C14    45     1.52405   101.99297    13.67673
   54    53 S   HC   _H6_    46     1.09462   111.70838  -154.46352
   55    50 S   CT   _C7_    78     1.52594   113.19248  -144.43890
   56    55 S   HC   _H14    79     1.09679   108.15736  -170.43678
   57    55 S   HC   _H15    80     1.09656   110.43077   -53.77804
   58    38 S   CT   _C13    47     1.55133   113.10244  -162.41713
   59    58 S   HC   _H5_    48     1.09827   109.54285   -39.67323
   60    53 S   OH   _O35    68     1.42372   109.44377    85.80805
   61    60 S   HO   _H22    69     0.97273   107.58231    64.84852
   62    55 S   CT   _C6_    81     1.53171   112.42966    69.00495
   63    62 S   HC   _H12    82     1.09621   109.99166   -64.76348
   64    62 S   HC   _H13    83     1.09628   109.65809    52.65054
   65    58 S   CT   _C17    49     1.53759   111.97070    81.17016
   66    65 S   HC   _H23    50     1.09704   110.70934    61.86153
   67    65 S   HC   _H24    51     1.09435   109.92843   -53.61116
   68    62 S   CT   _C5_    84     1.52866   111.06026   173.89273
   69    68 S   HC   _H10    85     1.09617   109.86674   -56.69015
   70    68 S   HC   _H11    86     1.09588   109.78466    60.94026
   71    65 S   CM   _C18    52     1.50224   112.18205  -177.09269
   72    71 S   HC   _H25    53     1.08879   115.57314   -77.78036
   73    68 S   CT   _C4_    87     1.51978   111.68733  -177.61862
   74    73 S   HC   _H7_    88     1.09334   111.10631   -60.90358
   75    73 S   HC   _H8_    89     1.09470   111.00330    59.69354
   76    73 S   HC   _H9_    90     1.09447   110.22885   179.42393
   77    71 S   CM   _C19    54     1.34203   127.09858   103.14446
   78    77 S   HC   _H26    55     1.08905   117.29934   179.43837
   79    77 S   CT   _C20    56     1.50236   127.37938    -1.91193
   80    79 S   HC   _H27    57     1.09610   107.85562  -123.63574
   81    79 S   HC   _H28    58     1.09380   111.74529    -7.33832
   82    79 S   CT   _C21    59     1.53160   111.09465   115.44626
   83    82 S   HC   _H29    60     1.09717   110.00261    59.05158
   84    82 S   HC   _H30    61     1.09767   109.27396   -57.61584
   85    82 S   CT   _C22    62     1.52627   112.37164  -177.90006
   86    85 S   HC   _H31    63     1.09721   108.58836   173.31112
   87    85 S   HC   _H32    64     1.09612   109.38124    57.27237
   88    85 S   CO3  _C23    65     1.53140   116.23912   -66.73639
   89    88 S   O2Z  _O37    66     1.26168   116.24686   -26.16292
   90    88 S   O2Z  _O36    67     1.26427   114.34279   154.47044
  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
  16   8   2   1   1  19   8  10   4   3  10   5   8   4   9   5
   4   9   5   4   9   5   9   5   4   9   5   2   1   9   5   4
   7   4   3   6   5   4   7   3   3   2   1   1   8   4   9   5
   4   8   5   4   5   4   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    58    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    53    58    59    65    40    41    42    45    46    50  
   38    39    43    58    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    48    49    53    54    58    59    65    66    67    71    60    40    41    42    45  
   43    44    47    53    58    59    65    40  
   41    42    45    46    50    51    52    55    43    58  
   42    45    46    50  
   45    46    50  
   44    47    48    49    53    54    58    59    65    60  
   47    48    49    53    58  
   46    50    51    52    55    56    57    62  
   50    51    52    55  
   48    49    53    54    58    59    65    60    61  
   49    53    54    58    60  
   53    54    58    60  
   51    52    55    56    57    62    63    64    68  
   52    55    56    57    62  
   55    56    57    62  
   54    58    59    65    66    67    71    60    61  
   58    59    65    60    61  
   56    57    62    63    64    68    69    70    73  
   57    62    63    64    68  
   62    63    64    68  
   59    65    66    67    71    72    77    60    61  
   65    66    67    71    60  
   61    65  
    0  
   63    64    68    69    70    73    74    75    76  
   64    68    69    70    73  
   68    69    70    73  
   66    67    71    72    77    78    79  
   67    71    72    77  
   71    72    77  
   69    70    73    74    75    76  
   70    73    74    75    76  
   73    74    75    76  
   72    77    78    79    80    81    82  
   77    78    79  
   74    75    76  
   75    76  
   76  
    0  
   78    79    80    81    82    83    84    85  
   79    80    81    82  
   80    81    82    83    84    85    86    87    88  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85    86    87    88    89    90  
   84    85    86    87    88  
   85    86    87    88  
   86    87    88    89    90  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    40   268.000  1.529
   38    39   340.000  1.090
   38    43   317.000  1.522
   38    58   268.000  1.529
   43    44   570.000  1.229
   43    47   317.000  1.522
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    53   268.000  1.529
   53    54   340.000  1.090
   53    58   268.000  1.529
   53    60   320.000  1.410
   58    59   340.000  1.090
   58    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   317.000  1.510
   71    72   340.000  1.080
   71    77   549.000  1.340
   77    78   340.000  1.080
   77    79   317.000  1.510
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   317.000  1.522
   88    89   656.000  1.250
   88    90   656.000  1.250
   60    61   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    50   317.000  1.522
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    43    63.00000  111.10000
   33    38    58    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    43    44    80.00000  120.40000
   38    43    47    70.00000  116.00000
   38    58    53    58.35000  112.70000
   38    58    59    37.50000  110.70000
   38    58    65    58.35000  112.70000
   43    38    39    35.00000  109.50000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    53    63.00000  111.10000
   47    43    44    80.00000  120.40000
   47    53    54    37.50000  110.70000
   47    53    58    58.35000  112.70000
   47    53    60    50.00000  109.50000
   49    47    48    33.00000  107.80000
   53    47    48    37.50000  110.70000
   53    47    49    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    65    58.35000  112.70000
   53    60    61    55.00000  108.50000
   58    38    39    37.50000  110.70000
   58    38    43    63.00000  111.10000
   58    53    54    37.50000  110.70000
   58    65    66    37.50000  110.70000
   58    65    67    37.50000  110.70000
   58    65    71    70.00000  112.02700
   65    58    59    37.50000  110.70000
   65    71    72    35.00000  117.00000
   65    71    77    70.00000  124.00000
   67    65    66    33.00000  107.80000
   71    65    66    35.00000  109.50000
   71    65    67    35.00000  109.50000
   71    77    78    35.00000  120.00000
   71    77    79    70.00000  124.00000
   77    71    72    35.00000  120.00000
   77    79    80    35.00000  109.50000
   77    79    81    35.00000  109.50000
   77    79    82    70.00000  112.02700
   79    77    78    35.00000  117.00000
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   79    82    85    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   82    85    86    37.50000  110.70000
   82    85    87    37.50000  110.70000
   82    85    88    70.00000  109.69300
   84    82    83    33.00000  107.80000
   85    82    83    37.50000  110.70000
   85    82    84    37.50000  110.70000
   85    88    89    70.00000  117.00000
   85    88    90    70.00000  117.00000
   87    85    86    33.00000  107.80000
   88    85    86    35.00000  109.50000
   88    85    87    35.00000  109.50000
   90    88    89    80.00000  126.00000
   60    53    54    35.00000  109.50000
   60    53    58    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    45    46    80.00000  120.40000
   40    45    50    70.00000  116.00000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    50    51    35.00000  109.50000
   45    50    52    35.00000  109.50000
   45    50    55    63.00000  111.10000
   50    45    46    80.00000  120.40000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    62    58.35000  112.70000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    62    63    37.50000  110.70000
   55    62    64    37.50000  110.70000
   55    62    68    58.35000  112.70000
   57    55    56    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    57    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   62    68    73    58.35000  112.70000
   64    62    63    33.00000  107.80000
   68    62    63    37.50000  110.70000
   68    62    64    37.50000  110.70000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    76    37.50000  110.70000
   70    68    69    33.00000  107.80000
   73    68    69    37.50000  110.70000
   73    68    70    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    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    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
   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    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    38    58   0.44750  1.0 1.0
   29    33    38    58  -0.17800 -1.0 2.0
   29    33    38    58   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    47   0.60050  1.0 1.0
   33    38    43    47   0.05600 -1.0 2.0
   33    38    43    47   0.26150  1.0 3.0
   33    38    58    53   0.56750  1.0 1.0
   33    38    58    53  -0.07550 -1.0 2.0
   33    38    58    53   0.20000  1.0 3.0
   33    38    58    59   0.15000  1.0 3.0
   33    38    58    65   0.56750  1.0 1.0
   33    38    58    65  -0.07550 -1.0 2.0
   33    38    58    65   0.20000  1.0 3.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    50   0.60050  1.0 1.0
   33    40    45    50   0.05600 -1.0 2.0
   33    40    45    50   0.26150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    38    58   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45  -0.11250  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45  -0.95700  1.0 1.0
   38    33    40    45  -0.18200 -1.0 2.0
   38    33    40    45   0.29450  1.0 3.0
   38    43    47    48   0.00000  1.0 1.0
   38    43    47    49   0.00000  1.0 1.0
   38    43   -47    53   0.60050  1.0 1.0
   38    43   -47    53   0.05600 -1.0 2.0
   38    43   -47    53   0.26150  1.0 3.0
   38    58    65    66   0.15000  1.0 3.0
   38    58    65    67   0.15000  1.0 3.0
   38    58    65    71   0.34400  1.0 1.0
   38    58    65    71   0.09450 -1.0 2.0
   38    58    65    71   0.11100  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    47   0.00000  1.0 1.0
   39    38    58    53   0.15000  1.0 3.0
   39    38    58    59   0.15000  1.0 3.0
   39    38    58    65   0.15000  1.0 3.0
   43    38   -58    53  -0.95700  1.0 1.0
   43    38   -58    53  -0.18200 -1.0 2.0
   43    38   -58    53   0.29450  1.0 3.0
   43    38    58    59  -0.11250  1.0 3.0
   43    38    58    65  -0.95700  1.0 1.0
   43    38    58    65  -0.18200 -1.0 2.0
   43    38    58    65   0.29450  1.0 3.0
   43    47    53    54  -0.11250  1.0 3.0
   43    47   -53    58  -0.95700  1.0 1.0
   43    47   -53    58  -0.18200 -1.0 2.0
   43    47   -53    58   0.29450  1.0 3.0
   43    47    53    60  -0.09450  1.0 1.0
   43    47    53    60  -1.12950 -1.0 2.0
   43    47    53    60   0.54000  1.0 3.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    49   0.00000  1.0 1.0
   44    43    47    53   0.30150 -1.0 2.0
   47    53   -58    38   0.56750  1.0 1.0
   47    53   -58    38  -0.07550 -1.0 2.0
   47    53   -58    38   0.20000  1.0 3.0
   47    53    58    59   0.15000  1.0 3.0
   47    53    58    65   0.56750  1.0 1.0
   47    53    58    65  -0.07550 -1.0 2.0
   47    53    58    65   0.20000  1.0 3.0
   47    53    60    61  -0.11600  1.0 1.0
   47    53    60    61  -0.09450 -1.0 2.0
   47    53    60    61   0.21250  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    58   0.15000  1.0 3.0
   48    47    53    60   0.23400  1.0 3.0
   49    47    53    54   0.15000  1.0 3.0
   49    47    53    58   0.15000  1.0 3.0
   49    47    53    60   0.23400  1.0 3.0
   53    58    65    66   0.15000  1.0 3.0
   53    58    65    67   0.15000  1.0 3.0
   53    58    65    71   0.34400  1.0 1.0
   53    58    65    71   0.09450 -1.0 2.0
   53    58    65    71   0.11100  1.0 3.0
   54    53    58    38   0.15000  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    65   0.15000  1.0 3.0
   54    53    60    61   0.19450  1.0 3.0
   58    38    43    44   0.30150 -1.0 2.0
   58    38   -43    47   0.60050  1.0 1.0
   58    38   -43    47   0.05600 -1.0 2.0
   58    38   -43    47   0.26150  1.0 3.0
   58    53    60    61  -0.11600  1.0 1.0
   58    53    60    61  -0.09450 -1.0 2.0
   58    53    60    61   0.21250  1.0 3.0
   58    65    71    72   0.00000  1.0 1.0
   58    65    71    77   0.09850  1.0 1.0
   58    65    71    77   0.15250 -1.0 2.0
   58    65    71    77  -0.50650  1.0 3.0
   59    58    65    66   0.15000  1.0 3.0
   59    58    65    67   0.15000  1.0 3.0
   59    58    65    71   0.15000  1.0 3.0
   65    71    77    78   7.00000 -1.0 2.0
   65    71    77    79   7.00000 -1.0 2.0
   66    65    71    72   0.33100  1.0 3.0
   66    65    71    77   0.00000  1.0 1.0
   67    65    71    72   0.33100  1.0 3.0
   67    65    71    77   0.00000  1.0 1.0
   71    77    79    80   0.00000  1.0 1.0
   71    77    79    81   0.00000  1.0 1.0
   71    77    79    82   0.09850  1.0 1.0
   71    77    79    82   0.15250 -1.0 2.0
   71    77    79    82  -0.50650  1.0 3.0
   72    71    77    78   7.00000 -1.0 2.0
   72    71    77    79   7.00000 -1.0 2.0
   77    79    82    83   0.15000  1.0 3.0
   77    79    82    84   0.15000  1.0 3.0
   77    79    82    85   0.34400  1.0 1.0
   77    79    82    85   0.09450 -1.0 2.0
   77    79    82    85   0.11100  1.0 3.0
   78    77    79    80   0.33100  1.0 3.0
   78    77    79    81   0.33100  1.0 3.0
   78    77    79    82   0.00000  1.0 1.0
   79    82    85    86   0.15000  1.0 3.0
   79    82    85    87   0.15000  1.0 3.0
   79    82    85    88  -1.63150  1.0 1.0
   79    82    85    88  -0.43550 -1.0 2.0
   79    82    85    88   0.24500  1.0 3.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   80    79    82    85   0.15000  1.0 3.0
   81    79    82    83   0.15000  1.0 3.0
   81    79    82    84   0.15000  1.0 3.0
   81    79    82    85   0.15000  1.0 3.0
   82    85    88    89   0.41150 -1.0 2.0
   82    85    88    90   0.41150 -1.0 2.0
   83    82    85    86   0.15000  1.0 3.0
   83    82    85    87   0.15000  1.0 3.0
   83    82    85    88  -0.11250  1.0 3.0
   84    82    85    86   0.15000  1.0 3.0
   84    82    85    87   0.15000  1.0 3.0
   84    82    85    88  -0.11250  1.0 3.0
   86    85    88    89   0.00000  1.0 1.0
   86    85    88    90   0.00000  1.0 1.0
   87    85    88    89   0.00000  1.0 1.0
   87    85    88    90   0.00000  1.0 1.0
   60    53    58    38   0.86500  1.0 1.0
   60    53    58    38  -0.17500 -1.0 2.0
   60    53    58    38   0.20800  1.0 3.0
   60    53    58    59   0.23400  1.0 3.0
   60    53    58    65   0.86500  1.0 1.0
   60    53    58    65  -0.17500 -1.0 2.0
   60    53    58    65   0.20800  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    43  -0.95700  1.0 1.0
   40    33    38    43  -0.18200 -1.0 2.0
   40    33    38    43   0.29450  1.0 3.0
   40    33    38    58   0.56750  1.0 1.0
   40    33    38    58  -0.07550 -1.0 2.0
   40    33    38    58   0.20000  1.0 3.0
   40    45    50    51   0.00000  1.0 1.0
   40    45    50    52   0.00000  1.0 1.0
   40    45    50    55   0.60050  1.0 1.0
   40    45    50    55   0.05600 -1.0 2.0
   40    45    50    55   0.26150  1.0 3.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    50   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    50   0.00000  1.0 1.0
   45    50    55    56  -0.11250  1.0 3.0
   45    50    55    57  -0.11250  1.0 3.0
   45    50    55    62  -0.95700  1.0 1.0
   45    50    55    62  -0.18200 -1.0 2.0
   45    50    55    62   0.29450  1.0 3.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    52   0.00000  1.0 1.0
   46    45    50    55   0.30150 -1.0 2.0
   50    55    62    63   0.15000  1.0 3.0
   50    55    62    64   0.15000  1.0 3.0
   50    55    62    68   0.56750  1.0 1.0
   50    55    62    68  -0.07550 -1.0 2.0
   50    55    62    68   0.20000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    62   0.15000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    50    55    62   0.15000  1.0 3.0
   55    62    68    69   0.15000  1.0 3.0
   55    62    68    70   0.15000  1.0 3.0
   55    62    68    73   0.56750  1.0 1.0
   55    62    68    73  -0.07550 -1.0 2.0
   55    62    68    73   0.20000  1.0 3.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    64   0.15000  1.0 3.0
   56    55    62    68   0.15000  1.0 3.0
   57    55    62    63   0.15000  1.0 3.0
   57    55    62    64   0.15000  1.0 3.0
   57    55    62    68   0.15000  1.0 3.0
   62    68    73    74   0.15000  1.0 3.0
   62    68    73    75   0.15000  1.0 3.0
   62    68    73    76   0.15000  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    70   0.15000  1.0 3.0
   63    62    68    73   0.15000  1.0 3.0
   64    62    68    69   0.15000  1.0 3.0
   64    62    68    70   0.15000  1.0 3.0
   64    62    68    73   0.15000  1.0 3.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    76   0.15000  1.0 3.0
   70    68    73    74   0.15000  1.0 3.0
   70    68    73    75   0.15000  1.0 3.0
   70    68    73    76   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
   36    30    35    37  10.50000 -1.0 2.0
   38    47    43    44  10.50000 -1.0 2.0
   65    72    71    77  15.00000 -1.0 2.0
   79    78    77    71  15.00000 -1.0 2.0
   89    85    88    90  10.50000 -1.0 2.0
   40    50    45    46  10.50000 -1.0 2.0
END
