* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    159    258     475
    1     0 S   NP   _N1_     1    28.72296    95.37112   -24.79448
    2     1 S   H    _HN1     2     1.02789   113.69631   -95.75684
    3     1 S   H    _H1_     3     1.02947    76.81632     8.77250
    4     1 S   H    _H2_     4     1.02827    30.68803   178.94687
    5     1 S   CT   _CA1     5     1.50122   127.86853   114.52099
    6     5 S   HC   _HA1     6     1.09572   105.16693    88.73538
    7     5 S   CO3  _C1_     7     1.53783   112.51521   -31.46322
    8     7 S   O2Z  _O11     8     1.26375   115.00194   -41.18146
    9     7 S   O2Z  _O12     9     1.26242   114.95407   137.90354
   10     5 S   CT   _CB1    10     1.53073   107.41371  -153.27289
   11    10 S   HC   HB11    11     1.09837   109.34463   -49.37287
   12    10 S   HC   HB12    12     1.09811   110.45840    67.23836
   13    10 S   CT   _CG1    13     1.52998   112.62322  -170.32866
   14    13 S   HC   HG11    14     1.09575   110.67998   -66.87040
   15    13 S   HC   HG12    15     1.09672   109.73061    52.36290
   16    13 S   C    _CD1    16     1.51805   112.14753   172.83169
   17    16 S   O    _OE1    17     1.22738   123.24833     9.83523
   18    16 S   N    _N2_    18     1.38650   111.71676  -170.17641
   19    18 S   H    _HN2    19     1.01570   118.95786     1.50558
   20    18 S   CT1  _CA2    20     1.46221   123.42106   177.06435
   21    20 S   HC   _HA2    21     1.09742   109.31545     6.19024
   22    20 S   C    _C2_    22     1.53636   108.79047  -109.31257
   23    22 S   O    _O2_    23     1.23074   122.26115  -148.69116
   24    20 S   CT   _CB2    32     1.53372   111.56482   128.19643
   25    24 S   HC   HB21    33     1.09439   109.78493    55.99633
   26    24 S   HC   HB22    34     1.09490   110.01545   175.14086
   27    22 S   N    _N3_    24     1.38319   113.82629    38.80226
   28    27 S   H    _HN3    25     1.01556   119.61585    -3.15474
   29    24 S   S    _SG2    35     1.82689   111.32761   -64.91015
   30    27 S   CT   _CA3    26     1.45283   123.25776   177.20600
   31    30 S   HC   HA31    27     1.09547   107.50301   -64.99991
   32    30 S   HC   HA32    28     1.09556   108.00377    51.45640
   33    29 S   CT   _C9_    36     1.87013   100.22155  -170.83908
   34    33 S   HC   _H4_    37     1.09506   103.74189    39.24709
   35    30 S   CO3  _C3_    29     1.52970   114.05224   173.47078
   36    35 S   O2Z  _O31    30     1.26382   116.07797    -0.29409
   37    35 S   O2Z  _O32    31     1.26426   114.41330   179.76015
   38    33 S   CT   _C10    38     1.55126   106.14088   -76.40052
   39    38 S   HC   _H5_    39     1.09819   110.31869   -29.20419
   40    33 S   CT   _C8_    59     1.58282   116.13741   156.59331
   41    40 S   OM   _O37    60     1.32445   109.91270    55.97129
   42    38 S   CT   _C11    40     1.51757   115.37140  -152.67233
   43    42 S   HC   _H6_    41     1.10046   109.28986    86.91051
   44    42 S   CT   _C19    42     1.53532   102.62611  -157.36171
   45    44 S   CM   _C18    43     1.50470   113.37374   155.14748
   46    45 S   HC   _H18    44     1.08748   118.10990   178.57921
   47    44 S   CO4  _C20    75     1.51803   100.75552    33.26536
   48    47 S   O    _O35    76     1.22145   126.44949   160.76899
   49    44 S   CT   _C21    78     1.53838   112.10216   -81.26926
   50    49 S   HC   _H19    79     1.09534   112.40433    58.65671
   51    49 S   HC   _H20    80     1.09616   111.18523   -62.26887
   52    49 S   HC   _H21    81     1.09715   111.10995   177.74736
   53    45 S   CM   _C17    45     1.34121   123.07376     1.65493
   54    53 S   HC   _H17    46     1.08616   119.48745   176.42193
   55    38 S   OS   _O36    77     1.44230   111.61164    89.30636
   56    53 S   CT   _C16    47     1.50542   122.81970    -5.45237
   57    56 S   HC   _H15    48     1.09745   108.56899    99.37158
   58    56 S   HC   _H16    49     1.09720   107.45474  -145.33684
   59    42 S   CT   _C12    50     1.55586   113.10695   -32.85433
   60    59 S   CM   _C13    51     1.54326   107.67082    61.90867
   61    59 S   CT   _C22    71     1.55707   115.72890   -57.29022
   62    61 S   HC   _H22    72     1.09370   112.94435   -59.32121
   63    61 S   HC   _H23    73     1.09775   110.47607  -178.18965
   64    61 S   HC   _H24    74     1.09113   113.59096    62.63079
   65    60 S   CM   _C14    52     1.34840   120.78086   150.18682
   66    65 S   HC   _H14    53     1.08289   122.62453    -3.58949
   67    65 S   CO4  _C15    54     1.46899   122.20923   177.71056
   68    67 S   O    _O33    55     1.22578   120.99667   163.57037
   69    67 S   OS   _O34    56     1.35106   116.25003   -17.23899
   70    69 S   CT   _C7_    57     1.46067   120.69340    -9.43209
   71    70 S   HC   _H3_    58     1.10229   105.52934   -67.31671
   72    70 S   CT   _C5_    61     1.55598   106.08749  -178.30326
   73    72 S   HC   _H10    62     1.09166   109.47411   175.16576
   74    72 S   CT   _C4_    63     1.53173   114.58845   -61.85741
   75    74 S   HC   _H7_    64     1.09500   111.66423    55.96622
   76    74 S   HC   _H8_    65     1.09209   112.07080   -65.67445
   77    74 S   HC   _H9_    66     1.09599   110.51430   175.59282
   78    72 S   CT   _C6_    67     1.54101   109.98553    59.94417
   79    78 S   HC   _H11    68     1.09507   111.87998   -65.77642
   80    78 S   HC   _H12    69     1.09563   110.57273   174.15923
   81    78 S   HC   _H13    70     1.09517   110.84490    55.09220
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   8   2   1   1  16   7  17   7  22   9  15  14   5   8   2
   6   2   1   1   7   4   1   9   4   3   9  12   4   2   1   1
   5   3   5   2   6  11   4   9   8   7   3   2   1   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    60    70    40    41    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    44    59    60    65    69    70    71    40    41    72    47    55  
   38    39    42    60    70    40    41    55  
   36    37  
   37  
    0  
   39    42    43    44    45    56    59    60    70    40    41    61    47    48    55    49  
   42    43    44    59    40    47    55  
   41    72    73    74    78    61    55    42    56    59    60    65    66    67    69    70    71  
   72    59    60    65    69    70    71  
   43    44    45    46    53    56    57    58    59    60    65    61    62    63    64    47    48    55    49    50    51    52  
   44    45    56    59    60    61    47    55    49  
   45    46    53    54    56    59    60    61    47    48    55    49    50    51    52  
   46    53    54    56    57    58    59    47    48    55    49    50    51    52  
   53    54    56    47    49  
   48    55    49    50    51    52    53    59  
   55    49  
   50    51    52    53    55    59  
   51    52  
   52  
    0  
   54    56    57    58    59    60    61  
   56    57    58    59  
   59  
   57    58    59    60    65    61    62    63    64  
   58    59    60    61  
   59    60    61  
   60    65    66    67    70    61    62    63    64  
   65    66    67    68    69    70    71    72    61    62    63    64  
   62    63    64    65  
   63    64  
   64  
    0  
   66    67    68    69    70  
   67    68    69  
   68    69    70    71    72  
   69    70  
   70    71    72    73    74    78  
   71    72    73    74    75    76    77    78    79    80    81  
   72    73    74    78  
   73    74    75    76    77    78    79    80    81  
   74    75    76    77    78    79    80    81  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   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
   81   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    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    42   268.000  1.529
   38    55   320.000  1.410
   42    43   340.000  1.090
   42    44   268.000  1.529
   42    59   268.000  1.529
   44    45   317.000  1.510
   44    47   317.000  1.522
   44    49   268.000  1.529
   45    46   340.000  1.080
   45    53   549.000  1.340
   53    54   340.000  1.080
   53    56   317.000  1.510
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   317.000  1.510
   59    61   268.000  1.529
   60    65   549.000  1.340
   60    40   317.000  1.510
   65    66   340.000  1.080
   65    67   320.000  1.462
   67    68   570.000  1.229
   67    69   214.000  1.327
   69    70   320.000  1.410
   70    71   340.000  1.090
   70    40   268.000  1.529
   70    72   268.000  1.529
   40    41   570.000  1.307
   72    73   340.000  1.090
   72    74   268.000  1.529
   72    78   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   47    48   570.000  1.229
   47    55   214.000  1.327
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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    42    58.35000  112.70000
   33    38    55    50.00000  109.50000
   33    40    60    70.00000  112.02700
   33    40    70    58.35000  112.70000
   33    40    41    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    58.35000  112.70000
   38    42    59    58.35000  112.70000
   38    55    47    83.00000  116.90000
   42    38    39    37.50000  110.70000
   42    44    45    70.00000  112.02700
   42    44    47    63.00000  111.10000
   42    44    49    58.35000  112.70000
   42    59    56    58.35000  112.70000
   42    59    60    70.00000  112.02700
   42    59    61    58.35000  112.70000
   44    42    43    37.50000  110.70000
   44    45    46    35.00000  117.00000
   44    45    53    70.00000  124.00000
   44    47    48    80.00000  120.40000
   44    47    55    81.00000  111.40000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    52    37.50000  110.70000
   45    53    54    35.00000  120.00000
   45    53    56    70.00000  124.00000
   53    45    46    35.00000  120.00000
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    59    70.00000  112.02700
   56    53    54    35.00000  117.00000
   56    59    60    70.00000  112.02700
   56    59    61    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    42    43    37.50000  110.70000
   59    42    44    58.35000  112.70000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    60    65    70.00000  124.00000
   59    60    40    65.00000  117.92700
   59    61    62    37.50000  110.70000
   59    61    63    37.50000  110.70000
   59    61    64    37.50000  110.70000
   60    65    66    35.00000  120.00000
   60    65    67    65.00000  118.96000
   60    40    70    70.00000  112.02700
   60    40    41    85.00000  110.90400
   65    67    68    80.00000  123.72100
   65    67    69    90.00000  111.29400
   67    65    66    40.00000  117.72500
   67    69    70    83.00000  116.90000
   69    67    68    83.00000  123.40000
   69    70    71    35.00000  109.50000
   69    70    40    50.00000  109.50000
   69    70    72    50.00000  109.50000
   70    40    41    50.00000  109.50000
   70    72    73    37.50000  110.70000
   70    72    74    58.35000  112.70000
   70    72    78    58.35000  112.70000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    60    65    70.00000  124.00000
   40    70    71    37.50000  110.70000
   72    70    71    37.50000  110.70000
   72    70    40    58.35000  112.70000
   72    74    75    37.50000  110.70000
   72    74    76    37.50000  110.70000
   72    74    77    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    80    37.50000  110.70000
   72    78    81    37.50000  110.70000
   74    72    73    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    72    73    37.50000  110.70000
   78    72    74    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   61    59    60    70.00000  112.02700
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   47    44    45    70.00000  109.06800
   55    38    39    35.00000  109.50000
   55    38    42    50.00000  109.50000
   55    47    48    83.00000  123.40000
   49    44    45    70.00000  112.02700
   49    44    47    63.00000  111.10000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    55   0.56750  1.0 1.0
   29    33    38    55  -0.07550 -1.0 2.0
   29    33    38    55   0.20000  1.0 3.0
   29    33    40    60   0.56750  1.0 1.0
   29    33    40    60  -0.07550 -1.0 2.0
   29    33    40    60   0.20000  1.0 3.0
   29    33    40    70   0.44750  1.0 1.0
   29    33    40    70  -0.17800 -1.0 2.0
   29    33    40    70   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
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.56750  1.0 1.0
   33    38    42    44  -0.07550 -1.0 2.0
   33    38    42    44   0.20000  1.0 3.0
   33    38    42    59   0.56750  1.0 1.0
   33    38    42    59  -0.07550 -1.0 2.0
   33    38    42    59   0.20000  1.0 3.0
   33    38    55    47  -0.25900  1.0 1.0
   33    38    55    47  -0.47000 -1.0 2.0
   33    38    55    47   0.11750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    55   0.23400  1.0 3.0
   34    33    40    60   0.15000  1.0 3.0
   34    33    40    70   0.15000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   38    33    40    60   0.34400  1.0 1.0
   38    33    40    60   0.09450 -1.0 2.0
   38    33    40    60   0.11100  1.0 3.0
   38    33    40    70   0.56750  1.0 1.0
   38    33    40    70  -0.07550 -1.0 2.0
   38    33    40    70   0.20000  1.0 3.0
   38    33    40    41   0.62750  1.0 1.0
   38    33    40    41  -0.30950 -1.0 2.0
   38    33    40    41   0.27300  1.0 3.0
   38    42    44    45   0.34400  1.0 1.0
   38    42    44    45   0.09450 -1.0 2.0
   38    42    44    45   0.11100  1.0 3.0
   38    42   -44    47  -0.95700  1.0 1.0
   38    42   -44    47  -0.18200 -1.0 2.0
   38    42   -44    47   0.29450  1.0 3.0
   38    42    44    49   0.56750  1.0 1.0
   38    42    44    49  -0.07550 -1.0 2.0
   38    42    44    49   0.20000  1.0 3.0
   38    42    59    56   0.56750  1.0 1.0
   38    42    59    56  -0.07550 -1.0 2.0
   38    42    59    56   0.20000  1.0 3.0
   38    42   -59    60   0.34400  1.0 1.0
   38    42   -59    60   0.09450 -1.0 2.0
   38    42   -59    60   0.11100  1.0 3.0
   38    42    59    61   0.56750  1.0 1.0
   38    42    59    61  -0.07550 -1.0 2.0
   38    42    59    61   0.20000  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    59   0.15000  1.0 3.0
   39    38    55    47   0.08050  1.0 3.0
   42    38   -55    47  -0.25900  1.0 1.0
   42    38   -55    47  -0.47000 -1.0 2.0
   42    38   -55    47   0.11750  1.0 3.0
   42    44    45    46   0.00000  1.0 1.0
   42    44    45    53   0.09850  1.0 1.0
   42    44    45    53   0.15250 -1.0 2.0
   42    44    45    53  -0.50650  1.0 3.0
   42    44    47    48   0.30150 -1.0 2.0
   42    44   -47    55   0.36750  1.0 3.0
   42    44    49    50   0.15000  1.0 3.0
   42    44    49    51   0.15000  1.0 3.0
   42    44    49    52   0.15000  1.0 3.0
   42    59    60    65   0.09850  1.0 1.0
   42    59    60    65   0.15250 -1.0 2.0
   42    59    60    65  -0.50650  1.0 3.0
   42    59    60    40   0.46850  1.0 1.0
   42    59    60    40   0.08550 -1.0 2.0
   42    59    60    40   0.09800  1.0 3.0
   42    59    61    62   0.15000  1.0 3.0
   42    59    61    63   0.15000  1.0 3.0
   42    59    61    64   0.15000  1.0 3.0
   43    42    44    45   0.15000  1.0 3.0
   43    42    44    47  -0.11250  1.0 3.0
   43    42    44    49   0.15000  1.0 3.0
   43    42    59    56   0.15000  1.0 3.0
   43    42    59    60   0.15000  1.0 3.0
   43    42    59    61   0.15000  1.0 3.0
   44    42    59    56   0.56750  1.0 1.0
   44    42    59    56  -0.07550 -1.0 2.0
   44    42    59    56   0.20000  1.0 3.0
   44    42    59    60   0.34400  1.0 1.0
   44    42    59    60   0.09450 -1.0 2.0
   44    42    59    60   0.11100  1.0 3.0
   44    42    59    61   0.56750  1.0 1.0
   44    42    59    61  -0.07550 -1.0 2.0
   44    42    59    61   0.20000  1.0 3.0
   44    45    53    54   7.00000 -1.0 2.0
   44    45   -53    56   7.00000 -1.0 2.0
   44    47   -55    38   1.63150  1.0 1.0
   44    47   -55    38   2.92000 -1.0 2.0
   45    44    47    48   0.30150 -1.0 2.0
   45    44    47    55   0.40000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    51   0.15000  1.0 3.0
   45    44    49    52   0.15000  1.0 3.0
   45    53    56    57   0.00000  1.0 1.0
   45    53    56    58   0.00000  1.0 1.0
   45    53    56    59   0.09850  1.0 1.0
   45    53    56    59   0.15250 -1.0 2.0
   45    53    56    59  -0.50650  1.0 3.0
   46    45    53    54   7.00000 -1.0 2.0
   46    45    53    56   7.00000 -1.0 2.0
   53    56   -59    42   0.34400  1.0 1.0
   53    56   -59    42   0.09450 -1.0 2.0
   53    56   -59    42   0.11100  1.0 3.0
   53    56    59    60   0.31000  1.0 1.0
   53    56    59    60   0.14700 -1.0 2.0
   53    56    59    60   0.07550  1.0 3.0
   53    56    59    61   0.34400  1.0 1.0
   53    56    59    61   0.09450 -1.0 2.0
   53    56    59    61   0.11100  1.0 3.0
   54    53    56    57   0.33100  1.0 3.0
   54    53    56    58   0.33100  1.0 3.0
   54    53    56    59   0.00000  1.0 1.0
   56    59    60    65   0.09850  1.0 1.0
   56    59    60    65   0.15250 -1.0 2.0
   56    59    60    65  -0.50650  1.0 3.0
   56    59    60    40   0.46850  1.0 1.0
   56    59    60    40   0.08550 -1.0 2.0
   56    59    60    40   0.09800  1.0 3.0
   56    59    61    62   0.15000  1.0 3.0
   56    59    61    63   0.15000  1.0 3.0
   56    59    61    64   0.15000  1.0 3.0
   57    56    59    42   0.15000  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   58    56    59    42   0.15000  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   59    42   -44    45   0.34400  1.0 1.0
   59    42   -44    45   0.09450 -1.0 2.0
   59    42   -44    45   0.11100  1.0 3.0
   59    42    44    47  -0.95700  1.0 1.0
   59    42    44    47  -0.18200 -1.0 2.0
   59    42    44    47   0.29450  1.0 3.0
   59    42    44    49   0.56750  1.0 1.0
   59    42    44    49  -0.07550 -1.0 2.0
   59    42    44    49   0.20000  1.0 3.0
   59    60    65    66   7.00000 -1.0 2.0
   59    60    65    67   7.00000 -1.0 2.0
   59    60   -40    33   0.46850  1.0 1.0
   59    60   -40    33   0.08550 -1.0 2.0
   59    60   -40    33   0.09800  1.0 3.0
   59    60    40    70   0.46850  1.0 1.0
   59    60    40    70   0.08550 -1.0 2.0
   59    60    40    70   0.09800  1.0 3.0
   59    60    40    41   0.09700  1.0 1.0
   59    60    40    41   0.15600 -1.0 2.0
   59    60    40    41  -0.50800  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59    61    64   0.15000  1.0 3.0
   60    65    67    68   1.00000 -1.0 2.0
   60    65    67    69  -0.56150  1.0 1.0
   60    65    67    69   2.19150 -1.0 2.0
   65    60    40    33   0.09850  1.0 1.0
   65    60    40    33   0.15250 -1.0 2.0
   65    60    40    33  -0.50650  1.0 3.0
   65    60    40    70   0.09850  1.0 1.0
   65    60    40    70   0.15250 -1.0 2.0
   65    60    40    70  -0.50650  1.0 3.0
   65    60    40    41   0.39000  1.0 1.0
   65    60    40    41  -0.05800 -1.0 2.0
   65    60    40    41  -0.55150  1.0 3.0
   65    67   -69    70   2.00000 -1.0 2.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    69   1.63100 -1.0 2.0
   67    69    70    71   0.08050  1.0 3.0
   67    69    70    40  -0.25900  1.0 1.0
   67    69    70    40  -0.47000 -1.0 2.0
   67    69    70    40   0.11750  1.0 3.0
   67    69    70    72  -0.25900  1.0 1.0
   67    69    70    72  -0.47000 -1.0 2.0
   67    69    70    72   0.11750  1.0 3.0
   68    67    69    70   3.00000 -1.0 2.0
   69    70    40    33   0.62750  1.0 1.0
   69    70    40    33  -0.30950 -1.0 2.0
   69    70    40    33   0.27300  1.0 3.0
   69    70   -40    60   0.61850  1.0 1.0
   69    70   -40    60  -0.22750 -1.0 2.0
   69    70   -40    60   0.15300  1.0 3.0
   69    70    40    41   1.11900  1.0 1.0
   69    70    40    41  -1.16350 -1.0 2.0
   69    70    40    41  -0.34150  1.0 3.0
   69    70    72    73   0.23400  1.0 3.0
   69    70    72    74   0.62750  1.0 1.0
   69    70    72    74  -0.30950 -1.0 2.0
   69    70    72    74   0.27300  1.0 3.0
   69    70    72    78   0.62750  1.0 1.0
   69    70    72    78  -0.30950 -1.0 2.0
   69    70    72    78   0.27300  1.0 3.0
   70    72    74    75   0.15000  1.0 3.0
   70    72    74    76   0.15000  1.0 3.0
   70    72    74    77   0.15000  1.0 3.0
   70    72    78    79   0.15000  1.0 3.0
   70    72    78    80   0.15000  1.0 3.0
   70    72    78    81   0.15000  1.0 3.0
   71    70    40    33   0.15000  1.0 3.0
   71    70    40    60   0.15000  1.0 3.0
   71    70    40    41   0.23400  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    74   0.15000  1.0 3.0
   71    70    72    78   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42   0.56750  1.0 1.0
   40    33   -38    42  -0.07550 -1.0 2.0
   40    33   -38    42   0.20000  1.0 3.0
   40    33    38    55   0.62750  1.0 1.0
   40    33    38    55  -0.30950 -1.0 2.0
   40    33    38    55   0.27300  1.0 3.0
   40    60    65    66   7.00000 -1.0 2.0
   40    60   -65    67   7.00000 -1.0 2.0
   40    70    72    73   0.15000  1.0 3.0
   40    70    72    74   0.56750  1.0 1.0
   40    70    72    74  -0.07550 -1.0 2.0
   40    70    72    74   0.20000  1.0 3.0
   40    70    72    78   0.56750  1.0 1.0
   40    70    72    78  -0.07550 -1.0 2.0
   40    70    72    78   0.20000  1.0 3.0
   72    70    40    33   0.56750  1.0 1.0
   72    70    40    33  -0.07550 -1.0 2.0
   72    70    40    33   0.20000  1.0 3.0
   72    70    40    60   0.34400  1.0 1.0
   72    70    40    60   0.09450 -1.0 2.0
   72    70    40    60   0.11100  1.0 3.0
   72    70    40    41   0.62750  1.0 1.0
   72    70    40    41  -0.30950 -1.0 2.0
   72    70    40    41   0.27300  1.0 3.0
   73    72    74    75   0.15000  1.0 3.0
   73    72    74    76   0.15000  1.0 3.0
   73    72    74    77   0.15000  1.0 3.0
   73    72    78    79   0.15000  1.0 3.0
   73    72    78    80   0.15000  1.0 3.0
   73    72    78    81   0.15000  1.0 3.0
   74    72    78    79   0.15000  1.0 3.0
   74    72    78    80   0.15000  1.0 3.0
   74    72    78    81   0.15000  1.0 3.0
   78    72    74    75   0.15000  1.0 3.0
   78    72    74    76   0.15000  1.0 3.0
   78    72    74    77   0.15000  1.0 3.0
   61    59    60    65   0.09850  1.0 1.0
   61    59    60    65   0.15250 -1.0 2.0
   61    59    60    65  -0.50650  1.0 3.0
   61    59    60    40   0.46850  1.0 1.0
   61    59    60    40   0.08550 -1.0 2.0
   61    59    60    40   0.09800  1.0 3.0
   47    44    45    46   0.00000  1.0 1.0
   47    44    45    53  -0.51250  1.0 1.0
   47    44    45    53  -0.88800 -1.0 2.0
   47    44    45    53   0.08850  1.0 3.0
   47    44    49    50  -0.11250  1.0 3.0
   47    44    49    51  -0.11250  1.0 3.0
   47    44    49    52  -0.11250  1.0 3.0
   48    47    55    38   3.00000 -1.0 2.0
   55    38    42    43   0.23400  1.0 3.0
   55    38   -42    44   0.62750  1.0 1.0
   55    38   -42    44  -0.30950 -1.0 2.0
   55    38   -42    44   0.27300  1.0 3.0
   55    38    42    59   0.62750  1.0 1.0
   55    38    42    59  -0.30950 -1.0 2.0
   55    38    42    59   0.27300  1.0 3.0
   49    44    45    46   0.00000  1.0 1.0
   49    44    45    53   0.09850  1.0 1.0
   49    44    45    53   0.15250 -1.0 2.0
   49    44    45    53  -0.50650  1.0 3.0
   49    44    47    48   0.30150 -1.0 2.0
   49    44    47    55   0.36750  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
   44    46    45    53   1.10000 -1.0 2.0
   56    54    53    45   1.10000 -1.0 2.0
   59    40    60    65   1.10000 -1.0 2.0
   67    66    65    60   1.10000 -1.0 2.0
   65    69    67    68  10.50000 -1.0 2.0
   44    55    47    48  10.50000 -1.0 2.0
END
