* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    144    211     416
    1     0 S   NP   _N1_     1    29.01492    96.91971   -21.79374
    2     1 S   H    _HN1     2     1.02794    99.61825   -93.10202
    3     1 S   H    _H1_     3     1.02947    68.82377    12.97362
    4     1 S   H    _H2_     4     1.02831    44.25441   161.12906
    5     1 S   CT   _CA1     5     1.50102   145.80175   108.52743
    6     5 S   HC   _HA1     6     1.09579   105.16681    95.64455
    7     5 S   CO3  _C1_     7     1.53650   112.46412   -24.53233
    8     7 S   O2Z  _O11     8     1.26354   115.05902   -44.12033
    9     7 S   O2Z  _O12     9     1.26215   114.90937   135.03251
   10     5 S   CT   _CB1    10     1.53046   107.42855  -146.47922
   11    10 S   HC   HB11    11     1.09840   109.13192   -50.59023
   12    10 S   HC   HB12    12     1.09811   110.55325    65.92526
   13    10 S   CT   _CG1    13     1.53046   112.73018  -171.60820
   14    13 S   HC   HG11    14     1.09597   110.72144   -69.52722
   15    13 S   HC   HG12    15     1.09672   109.74221    49.74009
   16    13 S   C    _CD1    16     1.51844   111.90412   170.07512
   17    16 S   O    _OE1    17     1.22754   123.16604    12.33628
   18    16 S   N    _N2_    18     1.38568   111.82204  -167.71497
   19    18 S   H    _HN2    19     1.01608   119.05958     0.11535
   20    18 S   CT1  _CA2    20     1.46340   123.46686   175.89229
   21    20 S   HC   _HA2    21     1.09735   109.38575     2.90218
   22    20 S   C    _C2_    22     1.53590   108.80037  -112.50466
   23    22 S   O    _O2_    23     1.23062   122.26937  -150.99404
   24    20 S   CT   _CB2    32     1.53201   111.17506   125.06017
   25    24 S   HC   HB21    33     1.09393   109.39646    54.75083
   26    24 S   HC   HB22    34     1.09491   110.99756   173.36186
   27    22 S   N    _N3_    24     1.38331   113.75725    36.65913
   28    27 S   H    _HN3    25     1.01566   119.51372    -3.62055
   29    24 S   S    _SG2    35     1.82821   110.94415   -67.44603
   30    27 S   CT   _CA3    26     1.45260   123.30767   177.13967
   31    30 S   HC   HA31    27     1.09546   107.55547   -64.13603
   32    30 S   HC   HA32    28     1.09555   107.95681    52.32285
   33    29 S   CT   _C20    36     1.82187    99.91945   152.27718
   34    33 S   HC   _H23    37     1.09475   108.05767    50.92671
   35    33 S   HC   _H24    38     1.09474   108.34151   165.17021
   36    30 S   CO3  _C3_    29     1.52970   114.01675   174.32556
   37    36 S   O2Z  _O31    30     1.26387   116.07519     0.83860
   38    36 S   O2Z  _O32    31     1.26423   114.41936  -179.12957
   39    33 S   CM   _C18    39     1.50478   111.97635   -73.86581
   40    39 S   CMA  _C19    40     1.35255   125.85017   119.11548
   41    40 S   OM   _O36    41     1.26318   128.08752     1.23480
   42    40 S   OS   _O35    42     1.41841   109.81131  -176.50828
   43    42 S   CT   _C7_    43     1.43416   105.75932   -19.06887
   44    43 S   HC   _H3_    44     1.09549   107.33927   -90.29429
   45    43 S   CM   _C6_    45     1.50052   108.08384   149.19323
   46    45 S   HC   _H9_    46     1.09047   114.14233   -80.12855
   47    39 S   CT   _C8_    62     1.51351   122.65327   -58.46776
   48    47 S   HC   _H4_    63     1.09911   106.54759    78.04522
   49    45 S   CM   _C5_    47     1.34883   127.25531   111.98911
   50    49 S   CT   _C14    48     1.52043   117.82964   155.69389
   51    50 S   HC   _H15    49     1.09752   110.12325    35.20251
   52    50 S   HC   _H16    50     1.09634   110.47466   151.80441
   53    49 S   CT   _C4_    75     1.50016   125.68900   -15.64017
   54    53 S   HC   _H6_    76     1.09342   111.03385   114.53001
   55    53 S   HC   _H7_    77     1.09288   112.99270    -7.22692
   56    53 S   HC   _H8_    78     1.09538   109.60277  -126.24106
   57    50 S   CT   _C13    51     1.55140   110.96724   -85.95346
   58    57 S   HC   _H13    52     1.09378   109.21094   -76.05489
   59    57 S   HC   _H14    53     1.09627   109.38286   168.31696
   60    57 S   CM   _C12    54     1.51347   111.22441    47.92584
   61    60 S   HC   _H12    55     1.08928   113.97730    71.62312
   62    60 S   CM   _C11    56     1.35054   126.69714   -96.86486
   63    62 S   CT   _C10    57     1.51652   120.05735   164.66777
   64    63 S   HC   _H10    58     1.09836   109.98858    14.42424
   65    63 S   HC   _H11    59     1.09824   106.90156   128.20132
   66    62 S   CT   _C15    71     1.50441   124.20602   -14.11631
   67    66 S   HC   _H17    72     1.09276   111.05003   102.95661
   68    66 S   HC   _H18    73     1.09251   112.97708   -18.61244
   69    66 S   HC   _H19    74     1.09550   110.15174  -137.03901
   70    63 S   CT   _C9_    60     1.55765   117.90798  -109.40369
   71    70 S   HC   _H5_    61     1.09645   104.10204  -174.38577
   72    70 S   OS   _O33    64     1.44327   111.32703   -58.40951
   73    72 S   CO4  _C16    65     1.36194   118.03588   -82.11816
   74    73 S   O    _O34    66     1.22300   126.58882     0.68643
   75    73 S   CT   _C17    67     1.49834   109.36856  -179.57067
   76    75 S   HC   _H20    68     1.09287   109.81384   -62.13431
   77    75 S   HC   _H21    69     1.09375   109.36869   178.74571
   78    75 S   HC   _H22    70     1.09296   109.83089    59.76044
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   8  12   6  13   4  10   4
  11  12   6   5   4   2   1   1   7   4   3  10   3  10  10   5
   4   4   2   1   1   5   2   6   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    70    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    63    70    71    47    48    72  
   41    42    43    44    45    70    47    48  
   42    43    47  
   43    44    45    46    49    70    47    48  
   44    45    46    49    50    63    70    71    47    48    72    53  
   45    46    49    70    47    48  
   46    49    50    51    52    57    70    47    48    53    54    55    56  
   49    50    47    53  
   48    72    73    49    62    63    64    65    70    71  
   72    63    70    71  
   50    51    52    57    58    59    60    53    54    55    56  
   51    52    57    58    59    60    61    62    53    54    55    56  
   52    57    58    59    60    53  
   57    58    59    60    53  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    61    62    63    66  
   59    60    61    62  
   60    61    62  
   61    62    63    64    65    70    66    67    68    69  
   62    63    66  
   63    64    65    70    71    72    66    67    68    69  
   64    65    70    71    72    73    66    67    68    69  
   65    70    71    72    66  
   70    71    72    66  
   67    68    69    70  
   68    69  
   69  
    0  
   71    72    73    74    75  
   72    73  
   73    74    75    76    77    78  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    47   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   317.000  1.510
   43    47   268.000  1.529
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    50   317.000  1.510
   49    53   317.000  1.510
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   317.000  1.510
   60    61   340.000  1.080
   60    62   549.000  1.340
   62    63   317.000  1.510
   62    66   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    70   268.000  1.529
   70    71   340.000  1.090
   70    47   268.000  1.529
   70    72   320.000  1.410
   47    48   340.000  1.090
   72    73   214.000  1.327
   73    74   570.000  1.229
   73    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    47    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    47    43    70.00000  112.02700
   39    47    70    70.00000  112.02700
   39    47    48    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    85.00000  110.90400
   42    43    47    50.00000  109.50000
   43    45    46    35.00000  117.00000
   43    45    49    70.00000  124.00000
   43    47    70    58.35000  112.70000
   43    47    48    37.50000  110.70000
   45    43    44    35.00000  109.50000
   45    49    50    70.00000  124.00000
   45    49    53    70.00000  124.00000
   49    45    46    35.00000  120.00000
   49    50    51    35.00000  109.50000
   49    50    52    35.00000  109.50000
   49    50    57    70.00000  112.02700
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    56    35.00000  109.50000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    60    70.00000  112.02700
   52    50    51    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    52    37.50000  110.70000
   57    60    61    35.00000  117.00000
   57    60    62    70.00000  124.00000
   59    57    58    33.00000  107.80000
   60    57    58    35.00000  109.50000
   60    57    59    35.00000  109.50000
   60    62    63    70.00000  124.00000
   60    62    66    70.00000  124.00000
   62    60    61    35.00000  120.00000
   62    63    64    35.00000  109.50000
   62    63    65    35.00000  109.50000
   62    63    70    70.00000  112.02700
   62    66    67    35.00000  109.50000
   62    66    68    35.00000  109.50000
   62    66    69    35.00000  109.50000
   63    70    71    37.50000  110.70000
   63    70    47    58.35000  112.70000
   63    70    72    50.00000  109.50000
   65    63    64    33.00000  107.80000
   70    63    64    37.50000  110.70000
   70    63    65    37.50000  110.70000
   70    47    48    37.50000  110.70000
   70    72    73    83.00000  116.90000
   47    39    40    70.00000  124.00000
   47    43    44    37.50000  110.70000
   47    43    45    70.00000  112.02700
   47    70    71    37.50000  110.70000
   72    70    71    35.00000  109.50000
   72    70    47    50.00000  109.50000
   72    73    74    83.00000  123.40000
   72    73    75    81.00000  111.40000
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    35.00000  109.50000
   75    73    74    80.00000  120.40000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   66    62    63    65.00000  117.92700
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   53    49    50    65.00000  117.92700
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    47   0.30250  1.0 1.0
   29    33    39    47  -0.14950 -1.0 2.0
   29    33    39    47   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    47    43   0.46850  1.0 1.0
   33    39    47    43   0.08550 -1.0 2.0
   33    39    47    43   0.09800  1.0 3.0
   33    39    47    70   0.46850  1.0 1.0
   33    39    47    70   0.08550 -1.0 2.0
   33    39    47    70   0.09800  1.0 3.0
   33    39    47    48   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -47    43   0.09850  1.0 1.0
   40    39   -47    43   0.15250 -1.0 2.0
   40    39   -47    43  -0.50650  1.0 3.0
   40    39    47    70   0.09850  1.0 1.0
   40    39    47    70   0.15250 -1.0 2.0
   40    39    47    70  -0.50650  1.0 3.0
   40    39    47    48   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.48150  1.0 1.0
   40    42    43    45   0.09250 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    47  -0.46850  1.0 1.0
   40    42   -43    47   0.09300 -1.0 2.0
   40    42   -43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    49   0.39000  1.0 1.0
   42    43    45    49  -0.05800 -1.0 2.0
   42    43    45    49  -0.55150  1.0 3.0
   42    43   -47    39   0.61850  1.0 1.0
   42    43   -47    39  -0.22750 -1.0 2.0
   42    43   -47    39   0.15300  1.0 3.0
   42    43    47    70   0.62750  1.0 1.0
   42    43    47    70  -0.30950 -1.0 2.0
   42    43    47    70   0.27300  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   43    45    49    50   7.00000 -1.0 2.0
   43    45    49    53   7.00000 -1.0 2.0
   44    43    45    46   0.33100  1.0 3.0
   44    43    45    49   0.00000  1.0 1.0
   44    43    47    39   0.15000  1.0 3.0
   44    43    47    70   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   45    43    47    39   0.31000  1.0 1.0
   45    43    47    39   0.14700 -1.0 2.0
   45    43    47    39   0.07550  1.0 3.0
   45    43    47    70   0.34400  1.0 1.0
   45    43    47    70   0.09450 -1.0 2.0
   45    43    47    70   0.11100  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    49    50    51   0.00000  1.0 1.0
   45    49    50    52   0.00000  1.0 1.0
   45    49    50    57   0.09850  1.0 1.0
   45    49    50    57   0.15250 -1.0 2.0
   45    49    50    57  -0.50650  1.0 3.0
   45    49    53    54   0.00000  1.0 1.0
   45    49    53    55   0.00000  1.0 1.0
   45    49    53    56   0.00000  1.0 1.0
   46    45    49    50   7.00000 -1.0 2.0
   46    45    49    53   7.00000 -1.0 2.0
   49    50    57    58   0.15000  1.0 3.0
   49    50    57    59   0.15000  1.0 3.0
   49    50    57    60   0.31000  1.0 1.0
   49    50    57    60   0.14700 -1.0 2.0
   49    50    57    60   0.07550  1.0 3.0
   50    49    53    54   0.34800  1.0 3.0
   50    49    53    55   0.34800  1.0 3.0
   50    49    53    56   0.34800  1.0 3.0
   50    57    60    61   0.00000  1.0 1.0
   50    57    60    62   0.09850  1.0 1.0
   50    57    60    62   0.15250 -1.0 2.0
   50    57    60    62  -0.50650  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    60   0.15000  1.0 3.0
   52    50    57    58   0.15000  1.0 3.0
   52    50    57    59   0.15000  1.0 3.0
   52    50    57    60   0.15000  1.0 3.0
   57    60    62    63   7.00000 -1.0 2.0
   57    60    62    66   7.00000 -1.0 2.0
   58    57    60    61   0.33100  1.0 3.0
   58    57    60    62   0.00000  1.0 1.0
   59    57    60    61   0.33100  1.0 3.0
   59    57    60    62   0.00000  1.0 1.0
   60    62    63    64   0.00000  1.0 1.0
   60    62    63    65   0.00000  1.0 1.0
   60    62    63    70   0.09850  1.0 1.0
   60    62    63    70   0.15250 -1.0 2.0
   60    62    63    70  -0.50650  1.0 3.0
   60    62    66    67   0.00000  1.0 1.0
   60    62    66    68   0.00000  1.0 1.0
   60    62    66    69   0.00000  1.0 1.0
   61    60    62    63   7.00000 -1.0 2.0
   61    60    62    66   7.00000 -1.0 2.0
   62    63    70    71   0.15000  1.0 3.0
   62    63    70    47   0.34400  1.0 1.0
   62    63    70    47   0.09450 -1.0 2.0
   62    63    70    47   0.11100  1.0 3.0
   62    63    70    72   0.61850  1.0 1.0
   62    63    70    72  -0.22750 -1.0 2.0
   62    63    70    72   0.15300  1.0 3.0
   63    62    66    67   0.34800  1.0 3.0
   63    62    66    68   0.34800  1.0 3.0
   63    62    66    69   0.34800  1.0 3.0
   63    70    47    39   0.34400  1.0 1.0
   63    70    47    39   0.09450 -1.0 2.0
   63    70    47    39   0.11100  1.0 3.0
   63    70    47    43   0.56750  1.0 1.0
   63    70    47    43  -0.07550 -1.0 2.0
   63    70    47    43   0.20000  1.0 3.0
   63    70    47    48   0.15000  1.0 3.0
   63    70    72    73  -0.25900  1.0 1.0
   63    70    72    73  -0.47000 -1.0 2.0
   63    70    72    73   0.11750  1.0 3.0
   64    63    70    71   0.15000  1.0 3.0
   64    63    70    47   0.15000  1.0 3.0
   64    63    70    72   0.23400  1.0 3.0
   65    63    70    71   0.15000  1.0 3.0
   65    63    70    47   0.15000  1.0 3.0
   65    63    70    72   0.23400  1.0 3.0
   70    72    73    74   3.00000 -1.0 2.0
   70    72    73    75   1.63150  1.0 1.0
   70    72    73    75   2.92000 -1.0 2.0
   71    70    47    39   0.15000  1.0 3.0
   71    70    47    43   0.15000  1.0 3.0
   71    70    47    48   0.15000  1.0 3.0
   71    70    72    73   0.08050  1.0 3.0
   47    39    40    41   7.00000 -1.0 2.0
   47    39   -40    42   7.00000 -1.0 2.0
   47    43    45    46   0.00000  1.0 1.0
   47    43    45    49   0.09850  1.0 1.0
   47    43    45    49   0.15250 -1.0 2.0
   47    43    45    49  -0.50650  1.0 3.0
   47    70    72    73  -0.25900  1.0 1.0
   47    70    72    73  -0.47000 -1.0 2.0
   47    70    72    73   0.11750  1.0 3.0
   72    70    47    39   0.61850  1.0 1.0
   72    70    47    39  -0.22750 -1.0 2.0
   72    70    47    39   0.15300  1.0 3.0
   72    70    47    43   0.62750  1.0 1.0
   72    70    47    43  -0.30950 -1.0 2.0
   72    70    47    43   0.27300  1.0 3.0
   72    70    47    48   0.23400  1.0 3.0
   72    73    75    76   0.00000  1.0 1.0
   72    73    75    77   0.00000  1.0 1.0
   72    73    75    78   0.00000  1.0 1.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    75    78   0.00000  1.0 1.0
   66    62    63    64   0.34800  1.0 3.0
   66    62    63    65   0.34800  1.0 3.0
   66    62    63    70   0.46850  1.0 1.0
   66    62    63    70   0.08550 -1.0 2.0
   66    62    63    70   0.09800  1.0 3.0
   53    49    50    51   0.34800  1.0 3.0
   53    49    50    52   0.34800  1.0 3.0
   53    49    50    57   0.46850  1.0 1.0
   53    49    50    57   0.08550 -1.0 2.0
   53    49    50    57   0.09800  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
   37    30    36    38  10.50000 -1.0 2.0
   33    47    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   43    46    45    49   1.10000 -1.0 2.0
   50    53    49    45   1.10000 -1.0 2.0
   57    61    60    62   1.10000 -1.0 2.0
   63    66    62    60   1.10000 -1.0 2.0
   72    75    73    74  10.50000 -1.0 2.0
END
