* LIGAND DATABASE FILE (OPLS2005)
*
001      82    83    150    231     434
    1     0 S   NP   _N1_     1    28.66498    97.29829   -19.81017
    2     1 S   H    _HN1     2     1.02777    90.34919  -120.03976
    3     1 S   H    _H1_     3     1.02958    68.60703   -10.44060
    4     1 S   H    _H2_     4     1.02835    50.35002   126.75931
    5     1 S   CT   _CA1     5     1.50116   155.52086    82.01188
    6     5 S   HC   _HA1     6     1.09575   105.23287    94.59656
    7     5 S   CO3  _C1_     7     1.53792   112.37060   -25.62400
    8     7 S   O2Z  _O11     8     1.26363   115.00437   -44.18842
    9     7 S   O2Z  _O12     9     1.26237   114.93049   134.98589
   10     5 S   CT   _CB1    10     1.53102   107.42998  -147.48467
   11    10 S   HC   HB11    11     1.09825   109.35449   -50.66977
   12    10 S   HC   HB12    12     1.09817   110.41765    65.89158
   13    10 S   CT   _CG1    13     1.53008   112.65180  -171.75252
   14    13 S   HC   HG11    14     1.09598   110.46922   -63.73654
   15    13 S   HC   HG12    15     1.09655   109.94515    55.45398
   16    13 S   C    _CD1    16     1.51833   112.34793   175.83604
   17    16 S   O    _OE1    17     1.22738   123.29284    -1.16012
   18    16 S   N    _N2_    18     1.38532   111.64296   178.83568
   19    18 S   H    _HN2    19     1.01550   119.01432     4.88399
   20    18 S   CT1  _CA2    20     1.45930   123.00828   178.28286
   21    20 S   HC   _HA2    21     1.09697   109.07260    22.31689
   22    20 S   C    _C2_    22     1.52839   106.48612   -95.07547
   23    22 S   O    _O2_    23     1.23031   122.79520   -32.03811
   24    20 S   CT   _CB2    32     1.53192   111.99175   145.59855
   25    24 S   HC   HB21    33     1.09371   109.62630    55.96430
   26    24 S   HC   HB22    34     1.09428   109.88830   174.02411
   27    22 S   N    _N3_    24     1.38451   112.83225   150.51816
   28    27 S   H    _HN3    25     1.01671   120.37747    -0.59479
   29    24 S   S    _SG2    35     1.83227   110.61089   -66.03348
   30    27 S   CT   _CA3    26     1.45375   122.32240   178.81024
   31    30 S   HC   HA31    27     1.09568   107.35560   -65.69067
   32    30 S   HC   HA32    28     1.09574   108.02962    50.58135
   33    29 S   CT   _C5_    36     1.87178   101.70887   159.62335
   34    30 S   CO3  _C3_    29     1.52867   114.56509   172.65532
   35    34 S   O2Z  _O31    30     1.26299   116.15996    -2.49920
   36    34 S   O2Z  _O32    31     1.26473   114.35894   177.63429
   37    33 S   CM   _C6_    37     1.54145   109.47903    52.24473
   38    33 S   CT   _C17    74     1.55886   104.76917   171.01904
   39    38 S   HC   _H18    75     1.09865   110.47263    55.88983
   40    38 S   HC   _H19    76     1.09669   112.17078   -63.99708
   41    37 S   N4   _N4_    38     1.36317   119.74582  -121.57862
   42    37 S   CMA  _C7_    71     1.53474   120.46012    69.25256
   43    42 S   OM   _O33    72     1.26193   120.83674   -87.10378
   44    42 S   OM   _O34    73     1.26377   120.68222    94.20706
   45    38 S   OS   _O39    77     1.44280   110.01900   173.84419
   46    41 S   C4   _C10    39     1.35353   136.21783  -168.13080
   47    46 S   O    _O35    40     1.20888   134.55122   -10.29442
   48    41 S   C4T  _C8_    43     1.44770   126.86507     8.52733
   49    48 S   HC   _H3_    44     1.09692   112.44332    81.50601
   50    45 S   CO4  _C18    78     1.35959   116.36624   174.25547
   51    50 S   O    _O40    79     1.22483   125.72529    -0.91215
   52    46 S   C4T  _C9_    41     1.56497    89.56479   164.82196
   53    52 S   HC   _H4_    42     1.09458   114.11898   125.62009
   54    48 S   S    _S1_    45     1.81110   110.23186   -47.08650
   55    50 S   N    _N7_    80     1.36951   110.05452   178.83299
   56    55 S   H    _H20    81     1.01384   121.05441   178.95096
   57    55 S   H    _H21    82     1.01309   121.17172    -2.59631
   58    33 S   CT   _C4_    46     1.56413   106.41398   -74.95595
   59    58 S   HC   _H6_    47     1.09652   111.02187   -82.47119
   60    58 S   HC   _H7_    48     1.09497   112.25103    35.54169
   61    52 S   N    _N5_    49     1.47999   112.51138  -105.00715
   62    61 S   H    _H8_    50     1.01717   118.72331   103.85785
   63    61 S   C    _C11    51     1.38354   122.71549   -69.32128
   64    63 S   O    _O36    52     1.22805   125.00666   -12.08676
   65    63 S   CT   _C12    53     1.51474   112.87790   165.98847
   66    65 S   HC   _H9_    54     1.09577   108.79712   171.12287
   67    65 S   HC   _H10    55     1.09635   108.33913    54.84702
   68    65 S   CT   _C13    56     1.53302   112.01140   -66.29768
   69    68 S   HC   _H11    57     1.09614   108.03623   173.73046
   70    68 S   HC   _H12    58     1.09523   109.92682    57.62296
   71    68 S   CT   _C14    59     1.53727   112.40861   -65.31959
   72    71 S   HC   _H13    60     1.09716   109.73789    56.77752
   73    71 S   HC   _H14    61     1.09758   108.50310   -58.71391
   74    71 S   CT   _C15    62     1.53362   114.46017   179.14889
   75    74 S   HC   _H5_    63     1.09662   108.72606   177.97909
   76    74 S   CO3  _C16    64     1.53989   112.41821    59.58309
   77    76 S   O2Z  _O38    65     1.26314   115.27028    55.42745
   78    76 S   O2Z  _O37    66     1.26429   115.20296  -125.01000
   79    74 S   NP   _N6_    67     1.49523   109.22860   -68.54676
   80    79 S   H    _H15    68     1.03479   113.68795   -55.16709
   81    79 S   H    _H16    69     1.02850   110.60877  -174.66175
   82    79 S   H    _H17    70     1.02648   112.11414    67.01942
  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  12   5   4   3
  16   2   1   1  17  12   4   3  12   5   1   1   6   9   4  10
   5   4   3   8   4   4   2   1   1   2   1   1   7   3   8   4
   9   5   4   9   5   4  11   5   4   8   7   6   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    58    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    54    58    59    60    42    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    48    54    58    59    60    42    43    44    38    39    40    45    50  
   35    36  
   36  
    0  
   41    46    47    52    48    49    54    58    59    60    42    43    44    38    39    40    45  
   39    40    45    50    51    55    41    42    54    58    59    60  
   40    45    50    58  
   45    50    58  
   46    47    52    53    48    49    54    58    61    42    43    44  
   43    44    46    48    58  
   44  
    0  
   50    51    55    56    57    58  
   47    52    53    48    49    54    61    62    63  
   52    53    48    61  
   49    54    58    59    60    61    62    63    52    53  
   54    58    61    52    53  
   51    55    56    57  
   55    56    57  
   53    54    58    61    62    63    64    65  
   54    61    62    63  
   58    59    60    61  
   56    57  
   57  
    0  
   59    60  
   60  
    0  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65    66    67    68    69    70    71  
   65    66    67    68  
   66    67    68    69    70    71    72    73    74  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71    72    73    74    75    76    79  
   70    71    72    73    74  
   71    72    73    74  
   72    73    74    75    76    77    78    79    80    81    82  
   73    74    75    76    79  
   74    75    76    79  
   75    76    77    78    79    80    81    82  
   76    77    78    79    80    81    82  
   77    78    79    80    81    82  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   55   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   56   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   57   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   58   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   62   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   63   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   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   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   77   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   78   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   79   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   80   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   81   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   82   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    58   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    46   440.000  1.369
   41    48   305.000  1.456
   46    47   930.000  1.212
   46    52   250.000  1.540
   52    53   340.000  1.090
   52    48   268.000  1.529
   52    61   337.000  1.449
   48    49   340.000  1.090
   48    54   200.000  1.824
   54    58   222.000  1.810
   58    59   340.000  1.090
   58    60   340.000  1.090
   61    62   434.000  1.010
   61    63   490.000  1.335
   63    64   570.000  1.229
   63    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   317.000  1.522
   74    79   367.000  1.471
   76    77   656.000  1.250
   76    78   656.000  1.250
   79    80   434.000  1.010
   79    81   434.000  1.010
   79    82   434.000  1.010
   42    43   745.000  1.250
   42    44   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   320.000  1.410
   45    50   214.000  1.327
   50    51   570.000  1.229
   50    55   435.000  1.380
   55    56   434.000  1.010
   55    57   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    58    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    58    54    75.00000  111.63000
   33    58    59    37.50000  110.70000
   33    58    60    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    50.00000  109.50000
   37    41    46    50.00000  132.10000
   37    41    48    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  137.10300
   41    46    47    75.00000  131.60000
   41    46    52    95.00000   92.72400
   41    48    52   105.00000   87.49700
   41    48    49    50.00000  112.01000
   41    48    54    80.00000  108.62000
   46    52    53    40.00000  113.37500
   46    52    48   100.00000   86.36000
   46    52    61    75.00000  110.24000
   52    46    47    60.00000  136.58000
   52    48    49    37.50000  110.70000
   52    48    54    65.00000  119.05700
   52    61    62    38.00000  118.40000
   52    61    63    50.00000  121.90000
   48    41    46   100.00000   93.00000
   48    52    53    37.50000  110.70000
   48    54    58    85.00000   99.86700
   54    48    49    45.00000  109.41400
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   58    33    37    70.00000  112.02700
   60    58    59    33.00000  107.80000
   61    52    53    50.00000  112.01000
   61    52    48    80.00000  110.05700
   61    63    64    80.00000  122.90000
   61    63    65    70.00000  116.60000
   63    61    62    35.00000  119.80000
   63    65    66    35.00000  109.50000
   63    65    67    35.00000  109.50000
   63    65    68    63.00000  111.10000
   65    63    64    80.00000  120.40000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    74    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    76    70.00000  109.69300
   71    74    79    80.00000  111.20000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    76    77    70.00000  117.00000
   74    76    78    70.00000  117.00000
   74    79    80    35.00000  109.50000
   74    79    81    35.00000  109.50000
   74    79    82    35.00000  109.50000
   76    74    75    35.00000  109.50000
   78    76    77    80.00000  126.00000
   79    74    75    35.00000  109.50000
   79    74    76    80.00000  109.26000
   81    79    80    35.00000  109.50000
   82    79    80    35.00000  109.50000
   82    79    81    35.00000  109.50000
   42    37    41    75.00000  120.83300
   44    42    43    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    58    58.35000  112.70000
   38    45    50    83.00000  116.90000
   40    38    39    33.00000  107.80000
   45    38    39    35.00000  109.50000
   45    38    40    35.00000  109.50000
   45    50    51    83.00000  123.40000
   45    50    55   110.00000  108.75700
   50    55    56    50.00000  116.34900
   50    55    57    50.00000  116.34900
   55    50    51    85.00000  125.96000
   57    55    56    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    58    54   0.56750  1.0 1.0
   29    33    58    54  -0.07550 -1.0 2.0
   29    33    58    54   0.20000  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    60   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    41    46   0.00000  1.0 1.0
   33    37    41    48   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    38    45    50  -0.25900  1.0 1.0
   33    38    45    50  -0.47000 -1.0 2.0
   33    38    45    50   0.11750  1.0 3.0
   37    33    58    54   0.56750  1.0 1.0
   37    33    58    54  -0.07550 -1.0 2.0
   37    33    58    54   0.20000  1.0 3.0
   37    33    58    59   0.15000  1.0 3.0
   37    33    58    60   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45   0.61850  1.0 1.0
   37    33    38    45  -0.22750 -1.0 2.0
   37    33    38    45   0.15300  1.0 3.0
   37    41    46    47   3.00000 -1.0 2.0
   37    41    46    52   3.00000 -1.0 2.0
   37    41   -48    52   0.00000  1.0 1.0
   37    41    48    49   0.00000  1.0 1.0
   37    41   -48    54   0.00000  1.0 1.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    44   7.00000 -1.0 2.0
   41    46    52    53   0.00000  1.0 1.0
   41    46   -52    48   3.00000 -1.0 2.0
   41    46    52    61   0.00000  1.0 1.0
   41    48    54    58   0.01700  1.0 1.0
   41    48    54    58  -0.23550 -1.0 2.0
   41    48    54    58   0.21350  1.0 3.0
   46    41   -48    52   0.00000  1.0 1.0
   46    41    48    49   0.00000  1.0 1.0
   46    41    48    54   0.00000  1.0 1.0
   46    52   -48    41   3.00000 -1.0 2.0
   46    52   -48    49   0.15000  1.0 3.0
   46    52   -48    54   0.00000  1.0 1.0
   46    52    61    62   0.00000  1.0 1.0
   46    52    61    63  -0.42300  1.0 1.0
   46    52    61    63  -0.07000 -1.0 2.0
   46    52    61    63   0.04150  1.0 3.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    48  -0.11250  1.0 1.0
   47    46    52    48   0.11400 -1.0 2.0
   47    46    52    48  -0.28950  1.0 3.0
   47    46    52    61   0.30150 -1.0 2.0
   52    48    54    58   0.25150  1.0 1.0
   52    48    54    58  -1.17200 -1.0 2.0
   52    48    54    58   0.53050  1.0 3.0
   52    61    63    64   3.04450 -1.0 2.0
   52    61    63    65   1.49850  1.0 1.0
   52    61    63    65   1.53950 -1.0 2.0
   53    52   -48    41   0.15000  1.0 3.0
   53    52    48    49   0.15000  1.0 3.0
   53    52    48    54   0.00000  1.0 1.0
   53    52    61    62   0.00000  1.0 1.0
   53    52    61    63   0.00000  1.0 1.0
   48    41   -46    47   3.00000 -1.0 2.0
   48    41   -46    52   3.00000 -1.0 2.0
   48    52    61    62   0.00000  1.0 1.0
   48    52    61    63  -0.43950  1.0 1.0
   48    52    61    63  -0.08100 -1.0 2.0
   48    52    61    63   0.03350  1.0 3.0
   48    54   -58    33  -0.25000 -1.0 2.0
   48    54   -58    33  -0.01800  1.0 3.0
   48    54    58    59   0.32350  1.0 3.0
   48    54    58    60   0.32350  1.0 3.0
   49    48    54    58   0.00000  1.0 1.0
   58    33   -37    41  -0.93550  1.0 1.0
   58    33   -37    41   0.38900 -1.0 2.0
   58    33   -37    41   0.16950  1.0 3.0
   58    33    37    42   0.09850  1.0 1.0
   58    33    37    42   0.15250 -1.0 2.0
   58    33    37    42  -0.50650  1.0 3.0
   58    33    38    39   0.15000  1.0 3.0
   58    33    38    40   0.15000  1.0 3.0
   58    33    38    45   0.62750  1.0 1.0
   58    33    38    45  -0.30950 -1.0 2.0
   58    33    38    45   0.27300  1.0 3.0
   61    52   -48    41   2.20050  1.0 1.0
   61    52   -48    41   0.63450 -1.0 2.0
   61    52   -48    41  -0.91300  1.0 3.0
   61    52    48    49   0.15000  1.0 3.0
   61    52    48    54   0.00000  1.0 1.0
   61    63    65    66   0.00000  1.0 1.0
   61    63    65    67   0.00000  1.0 1.0
   61    63    65    68   1.39750  1.0 1.0
   61    63    65    68  -0.07950 -1.0 2.0
   61    63    65    68  -0.18750  1.0 3.0
   62    61    63    64   2.45000 -1.0 2.0
   62    61    63    65   2.45000 -1.0 2.0
   63    65    68    69  -0.11250  1.0 3.0
   63    65    68    70  -0.11250  1.0 3.0
   63    65    68    71  -0.95700  1.0 1.0
   63    65    68    71  -0.18200 -1.0 2.0
   63    65    68    71   0.29450  1.0 3.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    67   0.00000  1.0 1.0
   64    63    65    68   0.30150 -1.0 2.0
   65    68    71    72   0.15000  1.0 3.0
   65    68    71    73   0.15000  1.0 3.0
   65    68    71    74   0.56750  1.0 1.0
   65    68    71    74  -0.07550 -1.0 2.0
   65    68    71    74   0.20000  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    71   0.15000  1.0 3.0
   68    71    74    75   0.15000  1.0 3.0
   68    71    74    76  -1.63150  1.0 1.0
   68    71    74    76  -0.43550 -1.0 2.0
   68    71    74    76   0.24500  1.0 3.0
   68    71    74    79   1.36600  1.0 1.0
   68    71    74    79  -0.11450 -1.0 2.0
   68    71    74    79   0.24250  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   69    68    71    74   0.15000  1.0 3.0
   70    68    71    72   0.15000  1.0 3.0
   70    68    71    73   0.15000  1.0 3.0
   70    68    71    74   0.15000  1.0 3.0
   71    74    76    77   0.41150 -1.0 2.0
   71    74    76    78   0.41150 -1.0 2.0
   71    74    79    80   0.17350  1.0 3.0
   71    74    79    81   0.17350  1.0 3.0
   71    74    79    82   0.17350  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76  -0.11250  1.0 3.0
   72    71    74    79   0.19200  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    76  -0.11250  1.0 3.0
   73    71    74    79   0.19200  1.0 3.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78   0.00000  1.0 1.0
   75    74    79    80   0.13050  1.0 3.0
   75    74    79    81   0.13050  1.0 3.0
   75    74    79    82   0.13050  1.0 3.0
   76    74    79    80   0.17350  1.0 3.0
   76    74    79    81   0.17350  1.0 3.0
   76    74    79    82   0.17350  1.0 3.0
   79    74    76    77   0.30150 -1.0 2.0
   79    74    76    78   0.30150 -1.0 2.0
   42    37    41    46   0.00000  1.0 1.0
   42    37    41    48   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    58    54   0.44750  1.0 1.0
   38    33    58    54  -0.17800 -1.0 2.0
   38    33    58    54   0.20200  1.0 3.0
   38    33    58    59   0.15000  1.0 3.0
   38    33    58    60   0.15000  1.0 3.0
   38    45    50    51   3.00000 -1.0 2.0
   38    45    50    55  -0.80800  1.0 1.0
   38    45    50    55   2.06850 -1.0 2.0
   39    38    45    50   0.08050  1.0 3.0
   40    38    45    50   0.08050  1.0 3.0
   45    50    55    56   2.56700 -1.0 2.0
   45    50    55    57   2.56700 -1.0 2.0
   51    50    55    56   2.45000 -1.0 2.0
   51    50    55    57   2.45000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    42   1.10000 -1.0 2.0
   48    46    41    37   1.00000 -1.0 2.0
   41    52    46    47  10.50000 -1.0 2.0
   62    63    61    52   1.00000 -1.0 2.0
   61    65    63    64  10.50000 -1.0 2.0
   77    74    76    78  10.50000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
   45    55    50    51  10.50000 -1.0 2.0
   57    50    55    56   1.00000 -1.0 2.0
END
