* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    155    234     456
    1     0 S   NP   _N1_     1    28.94075    93.73747   -18.80358
    2     1 S   H    _HN1     2     1.02772    83.47124   -57.27624
    3     1 S   H    _H1_     3     1.02946   102.89327    50.02308
    4     1 S   H    _H2_     4     1.02824    28.18896   152.19617
    5     1 S   CT   _CA1     5     1.50150   135.28371  -172.46857
    6     5 S   HC   _HA1     6     1.09577   105.24884    42.53157
    7     5 S   CO3  _C1_     7     1.53787   112.43761   -77.56768
    8     7 S   O2Z  _O11     8     1.26335   115.08846   -43.48135
    9     7 S   O2Z  _O12     9     1.26249   114.89115   135.73196
   10     5 S   CT   _CB1    10     1.53018   107.26500   160.25095
   11    10 S   HC   HB11    11     1.09805   109.20556   -52.28649
   12    10 S   HC   HB12    12     1.09620   110.27356    64.17595
   13    10 S   CT   _CG1    13     1.52907   113.07802  -174.02404
   14    13 S   HC   HG11    14     1.09592   110.17173   -63.84538
   15    13 S   HC   HG12    15     1.09623   110.27039    55.36188
   16    13 S   C    _CD1    16     1.51861   112.04788   175.30364
   17    16 S   O    _OE1    17     1.22740   123.15301   -15.57198
   18    16 S   N    _N2_    18     1.38555   111.78567   165.70784
   19    18 S   H    _HN2    19     1.01598   119.00936    -0.95429
   20    18 S   CT1  _CA2    20     1.46139   123.43037   179.34748
   21    20 S   HC   _HA2    21     1.09595   109.06297   -20.40490
   22    20 S   C    _C2_    22     1.53500   108.16070  -135.53251
   23    22 S   O    _O2_    23     1.23007   122.31431  -146.40676
   24    20 S   CT   _CB2    32     1.53426   111.70768   102.35718
   25    24 S   HC   HB21    33     1.09650   109.65512    54.18375
   26    24 S   HC   HB22    34     1.09545   111.23463   171.73248
   27    22 S   N    _N3_    24     1.38542   113.31522    41.05601
   28    27 S   H    _HN3    25     1.01539   118.90862    -0.49377
   29    24 S   S    _SG2    35     1.82878   114.36201   -65.88398
   30    27 S   CT   _CA3    26     1.45448   123.43394   175.19185
   31    30 S   HC   HA31    27     1.09524   109.23126    24.55263
   32    30 S   HC   HA32    28     1.09496   107.12404   141.54822
   33    29 S   CT   _C21    36     1.82838    99.41562   -72.75231
   34    33 S   HC   _H3_    37     1.09510   107.80989   -51.67193
   35    33 S   HC   _H4_    38     1.09420   108.66083    65.86374
   36    30 S   CO3  _C3_    29     1.52920   113.11137   -98.92648
   37    36 S   O2Z  _O31    30     1.26402   115.39708   -44.80546
   38    36 S   O2Z  _O32    31     1.26353   114.98784   136.13221
   39    33 S   CT   _C22    39     1.53331   111.23680  -171.89305
   40    39 S   HC   _H49    40     1.09857   110.14109    46.45612
   41    39 S   CO4  _C11    41     1.52134   110.67031   -73.40119
   42    41 S   O    _O21    42     1.22382   124.65825   -65.85721
   43    39 S   CT   _C20    81     1.53404   112.12268   164.76188
   44    43 S   HC   _H45    82     1.09522   111.12571   168.69997
   45    43 S   HC   _H46    83     1.09528   109.84663   -71.31348
   46    41 S   OS   _O25    43     1.36694   109.74414   114.26097
   47    43 S   OH   _O24    84     1.42114   111.17588    47.84304
   48    47 S   HO   _H51    85     0.97245   107.21538   179.38866
   49    46 S   CT   _C17    44     1.45965   117.61639   179.72446
   50    49 S   HC   _H39    45     1.09674   108.88159   -33.81322
   51    49 S   CT   _C13    46     1.55810   103.87397    84.70361
   52    51 S   HC   _H33    47     1.09892   107.75201    65.74861
   53    51 S   HC   _H34    48     1.09845   109.16043   -46.48704
   54    49 S   CT   _C16    63     1.56216   107.02981  -151.29904
   55    54 S   HC   _H38    64     1.10001   108.11455   -65.24726
   56    51 S   CM   _C6_    49     1.51074   117.53833  -168.01945
   57    54 S   CM   _C8_    65     1.51017   117.69546    54.37859
   58    56 S   CM   _C4_    50     1.35010   119.25350  -121.06176
   59    58 S   HC   _H27    51     1.09010   118.46527    -5.16839
   60    57 S   CO4  _C9_    66     1.48174   108.27794   155.35002
   61    60 S   O    _O20    67     1.21737   127.36259   164.47549
   62    57 S   CM   _C10    69     1.33664   133.24814   -21.63410
   63    62 S   HC   _H29    70     1.08046   122.74805    -1.68864
   64    62 S   HC   _H30    71     1.08630   121.43487   178.34803
   65    56 S   CT   _C18    77     1.50287   115.63465    56.54609
   66    65 S   HC   _H40    78     1.09354   111.00217   -70.31781
   67    65 S   HC   _H41    79     1.09241   113.02439   168.05136
   68    65 S   HC   _H42    80     1.09564   109.83082    49.37221
   69    58 S   CT   _C12    52     1.50941   126.59512   161.39705
   70    69 S   HC   _H31    53     1.09374   112.16193    27.05934
   71    69 S   HC   _H32    54     1.09603   109.08177   144.53753
   72    82 S   OS   _O22    68     1.43752   106.97327   106.81231
   73    69 S   CT   _C14    55     1.54984   109.85640   -95.33476
   74    73 S   HC   _H35    56     1.09834   109.34548   -69.22753
   75    73 S   HC   _H36    57     1.09581   109.80880   175.04568
   76    73 S   CM   _C7_    58     1.52422   110.76297    52.23254
   77    76 S   CM   _C5_    59     1.35161   118.11299   -85.47758
   78    77 S   HC   _H28    60     1.08994   117.97949   -11.21480
   79    76 S   CT   _C19    72     1.50416   116.11915    86.43652
   80    79 S   HC   _H43    73     1.09415   110.60413   -56.05142
   81    79 S   HC   _H44    74     1.09226   112.86296  -177.73661
   82    77 S   CT   _C15    61     1.49744   126.95676   158.34921
   83    82 S   HC   _H37    62     1.09670   111.35335   -10.59299
   84    79 S   OH   _O23    75     1.42297   109.03833    63.16147
   85    84 S   HO   _H50    76     0.97223   107.02703   179.95577
  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   7   5   4   3
  11   5   4   2   1   1  10   7  10   3   5   3   2  10   1   1
  16   8  14   5   4  14   7  10   9  12   5   8   3   4   1   1
   4   2   1   1   8   5   4   5  10   4   3   9   7   3   5   3
   2   1   1   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    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    46    43    44    45    47  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    46    49    43    44    45    47    48  
   41    42    46    43    44    45    47  
   42    46    49    50    51    54    43    44    45    47  
   46    49    43  
   44    45    47    48    46  
   45    47    48  
   47    48  
   49    50    51    52    53    56    82    54    55    57  
   48  
    0  
   50    51    52    53    56    58    77    82    83    54    55    57    60    72    62    65  
   51    52    53    56    82    54    55    57  
   52    53    56    58    59    69    82    54    55    57    65    66    67    68  
   53    56    58    54    65  
   56    58    54    65  
   55    57    60    61    72    62    63    64    56    76    77    78    82    83  
   57    60    72    62    77    82    83  
   58    59    69    70    71    73    65    66    67    68  
   60    61    72    62    63    64    77    82    83  
   59    69    70    71    73    74    75    76    65    66    67    68  
   69    70    71    73    65  
   61    72    62    63    64    77    82    83  
   72    62    82  
   63    64    72    82  
   64  
    0  
   66    67    68    69  
   67    68  
   68  
    0  
   70    71    73    74    75    76    77    79  
   71    73    74    75    76  
   73    74    75    76  
   76    77    78    82    83  
   74    75    76    77    78    82    79    80    81    84  
   75    76    77    79  
   76    77    79  
   77    78    82    83    79    80    81    84    85  
   78    82    83    79    80    81    84  
   82    83    79  
   80    81    84    85    82  
   81    84    85  
   84    85  
   83  
    0  
   85  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   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    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   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    43   268.000  1.529
   41    42   570.000  1.229
   41    46   214.000  1.327
   46    49   320.000  1.410
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    54   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   317.000  1.510
   56    58   549.000  1.340
   56    65   317.000  1.510
   58    59   340.000  1.080
   58    69   317.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   317.000  1.510
   76    77   549.000  1.340
   76    79   317.000  1.510
   77    78   340.000  1.080
   77    82   317.000  1.510
   82    83   340.000  1.090
   82    54   268.000  1.529
   82    72   320.000  1.410
   54    55   340.000  1.090
   54    57   317.000  1.510
   57    60   320.000  1.462
   57    62   549.000  1.340
   60    61   570.000  1.229
   60    72   214.000  1.327
   62    63   340.000  1.080
   62    64   340.000  1.080
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    84   320.000  1.410
   84    85   553.000  0.945
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   320.000  1.410
   47    48   553.000  0.945
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  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    46    81.00000  111.40000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    47    50.00000  109.50000
   41    39    40    35.00000  109.50000
   41    46    49    83.00000  116.90000
   46    41    42    83.00000  123.40000
   46    49    50    35.00000  109.50000
   46    49    51    50.00000  109.50000
   46    49    54    50.00000  109.50000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    56    70.00000  112.02700
   49    54    82    58.35000  112.70000
   49    54    55    37.50000  110.70000
   49    54    57    70.00000  112.02700
   51    49    50    37.50000  110.70000
   51    56    58    70.00000  124.00000
   51    56    65    65.00000  117.92700
   53    51    52    33.00000  107.80000
   56    51    52    35.00000  109.50000
   56    51    53    35.00000  109.50000
   56    58    59    35.00000  120.00000
   56    58    69    70.00000  124.00000
   56    65    66    35.00000  109.50000
   56    65    67    35.00000  109.50000
   56    65    68    35.00000  109.50000
   58    69    70    35.00000  109.50000
   58    69    71    35.00000  109.50000
   58    69    73    70.00000  112.02700
   69    58    59    35.00000  117.00000
   69    73    74    37.50000  110.70000
   69    73    75    37.50000  110.70000
   69    73    76    70.00000  112.02700
   71    69    70    33.00000  107.80000
   73    69    70    37.50000  110.70000
   73    69    71    37.50000  110.70000
   73    76    77    70.00000  124.00000
   73    76    79    65.00000  117.92700
   75    73    74    33.00000  107.80000
   76    73    74    35.00000  109.50000
   76    73    75    35.00000  109.50000
   76    77    78    35.00000  120.00000
   76    77    82    70.00000  124.00000
   76    79    80    35.00000  109.50000
   76    79    81    35.00000  109.50000
   76    79    84    90.00000  110.39200
   77    82    83    35.00000  109.50000
   77    82    54    70.00000  112.02700
   77    82    72    85.00000  110.90400
   82    77    78    35.00000  117.00000
   82    54    55    37.50000  110.70000
   82    54    57    70.00000  112.02700
   82    72    60    83.00000  116.90000
   54    49    50    37.50000  110.70000
   54    49    51    58.35000  112.70000
   54    82    83    37.50000  110.70000
   54    57    60    65.00000  116.34900
   54    57    62    70.00000  124.00000
   57    54    55    35.00000  109.50000
   57    60    61    80.00000  123.72100
   57    60    72    90.00000  111.29400
   57    62    63    35.00000  120.00000
   57    62    64    35.00000  120.00000
   72    82    83    35.00000  109.50000
   72    82    54    50.00000  109.50000
   72    60    61    83.00000  123.40000
   62    57    60    65.00000  118.96000
   64    62    63    35.00000  117.00000
   79    76    77    70.00000  124.00000
   79    84    85    55.00000  108.50000
   81    79    80    33.00000  107.80000
   84    79    80    35.00000  109.50000
   84    79    81    35.00000  109.50000
   65    56    58    70.00000  124.00000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   43    47    48    55.00000  108.50000
   45    43    44    33.00000  107.80000
   47    43    44    35.00000  109.50000
   47    43    45    35.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    46   0.36750  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    47   0.86500  1.0 1.0
   33    39    43    47  -0.17500 -1.0 2.0
   33    39    43    47   0.20800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   39    41    46    49   1.63150  1.0 1.0
   39    41    46    49   2.92000 -1.0 2.0
   39    43    47    48  -0.11600  1.0 1.0
   39    43    47    48  -0.09450 -1.0 2.0
   39    43    47    48   0.21250  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    46   0.00000  1.0 1.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    47   0.23400  1.0 3.0
   41    39    43    44  -0.11250  1.0 3.0
   41    39    43    45  -0.11250  1.0 3.0
   41    39    43    47  -0.09450  1.0 1.0
   41    39    43    47  -1.12950 -1.0 2.0
   41    39    43    47   0.54000  1.0 3.0
   41    46    49    50   0.08050  1.0 3.0
   41    46    49    51  -0.25900  1.0 1.0
   41    46    49    51  -0.47000 -1.0 2.0
   41    46    49    51   0.11750  1.0 3.0
   41    46    49    54  -0.25900  1.0 1.0
   41    46    49    54  -0.47000 -1.0 2.0
   41    46    49    54   0.11750  1.0 3.0
   42    41    46    49   3.00000 -1.0 2.0
   46    49    51    52   0.23400  1.0 3.0
   46    49    51    53   0.23400  1.0 3.0
   46    49    51    56   0.61850  1.0 1.0
   46    49    51    56  -0.22750 -1.0 2.0
   46    49    51    56   0.15300  1.0 3.0
   46    49    54    82   0.62750  1.0 1.0
   46    49    54    82  -0.30950 -1.0 2.0
   46    49    54    82   0.27300  1.0 3.0
   46    49    54    55   0.23400  1.0 3.0
   46    49    54    57   0.61850  1.0 1.0
   46    49    54    57  -0.22750 -1.0 2.0
   46    49    54    57   0.15300  1.0 3.0
   49    51    56    58   0.09850  1.0 1.0
   49    51    56    58   0.15250 -1.0 2.0
   49    51    56    58  -0.50650  1.0 3.0
   49    51    56    65   0.46850  1.0 1.0
   49    51    56    65   0.08550 -1.0 2.0
   49    51    56    65   0.09800  1.0 3.0
   49    54    57    60   0.09700  1.0 1.0
   49    54    57    60   0.15600 -1.0 2.0
   49    54    57    60  -0.50800  1.0 3.0
   49    54    57    62   0.09850  1.0 1.0
   49    54    57    62   0.15250 -1.0 2.0
   49    54    57    62  -0.50650  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    56   0.15000  1.0 3.0
   50    49    54    82   0.15000  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    57   0.15000  1.0 3.0
   51    49    54    82   0.56750  1.0 1.0
   51    49    54    82  -0.07550 -1.0 2.0
   51    49    54    82   0.20000  1.0 3.0
   51    49    54    55   0.15000  1.0 3.0
   51    49    54    57   0.34400  1.0 1.0
   51    49    54    57   0.09450 -1.0 2.0
   51    49    54    57   0.11100  1.0 3.0
   51    56    58    59   7.00000 -1.0 2.0
   51    56    58    69   7.00000 -1.0 2.0
   51    56    65    66   0.34800  1.0 3.0
   51    56    65    67   0.34800  1.0 3.0
   51    56    65    68   0.34800  1.0 3.0
   52    51    56    58   0.00000  1.0 1.0
   52    51    56    65   0.34800  1.0 3.0
   53    51    56    58   0.00000  1.0 1.0
   53    51    56    65   0.34800  1.0 3.0
   56    58    69    70   0.00000  1.0 1.0
   56    58    69    71   0.00000  1.0 1.0
   56    58    69    73   0.09850  1.0 1.0
   56    58    69    73   0.15250 -1.0 2.0
   56    58    69    73  -0.50650  1.0 3.0
   58    56    65    66   0.00000  1.0 1.0
   58    56    65    67   0.00000  1.0 1.0
   58    56    65    68   0.00000  1.0 1.0
   58    69    73    74   0.15000  1.0 3.0
   58    69    73    75   0.15000  1.0 3.0
   58    69    73    76   0.31000  1.0 1.0
   58    69    73    76   0.14700 -1.0 2.0
   58    69    73    76   0.07550  1.0 3.0
   59    58    69    70   0.33100  1.0 3.0
   59    58    69    71   0.33100  1.0 3.0
   59    58    69    73   0.00000  1.0 1.0
   69    73    76    77   0.09850  1.0 1.0
   69    73    76    77   0.15250 -1.0 2.0
   69    73    76    77  -0.50650  1.0 3.0
   69    73    76    79   0.46850  1.0 1.0
   69    73    76    79   0.08550 -1.0 2.0
   69    73    76    79   0.09800  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    75   0.15000  1.0 3.0
   70    69    73    76   0.15000  1.0 3.0
   71    69    73    74   0.15000  1.0 3.0
   71    69    73    75   0.15000  1.0 3.0
   71    69    73    76   0.15000  1.0 3.0
   73    76    77    78   7.00000 -1.0 2.0
   73    76    77    82   7.00000 -1.0 2.0
   73    76    79    80   0.34800  1.0 3.0
   73    76    79    81   0.34800  1.0 3.0
   73    76    79    84   0.18000  1.0 1.0
   73    76    79    84   0.16450 -1.0 2.0
   73    76    79    84   0.04450  1.0 3.0
   74    73    76    77   0.00000  1.0 1.0
   74    73    76    79   0.34800  1.0 3.0
   75    73    76    77   0.00000  1.0 1.0
   75    73    76    79   0.34800  1.0 3.0
   76    77    82    83   0.00000  1.0 1.0
   76    77    82    54   0.09850  1.0 1.0
   76    77    82    54   0.15250 -1.0 2.0
   76    77    82    54  -0.50650  1.0 3.0
   76    77    82    72   0.39000  1.0 1.0
   76    77    82    72  -0.05800 -1.0 2.0
   76    77    82    72  -0.55150  1.0 3.0
   76    79    84    85  -0.07800  1.0 1.0
   76    79    84    85  -0.21500 -1.0 2.0
   76    79    84    85  -0.03150  1.0 3.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    81   0.00000  1.0 1.0
   77    76    79    84   0.67800  1.0 1.0
   77    76    79    84   0.47050 -1.0 2.0
   77    76    79    84  -0.62500  1.0 3.0
   77    82    54    49   0.34400  1.0 1.0
   77    82    54    49   0.09450 -1.0 2.0
   77    82    54    49   0.11100  1.0 3.0
   77    82    54    55   0.15000  1.0 3.0
   77    82    54    57   0.31000  1.0 1.0
   77    82    54    57   0.14700 -1.0 2.0
   77    82    54    57   0.07550  1.0 3.0
   77    82    72    60  -0.82050  1.0 1.0
   77    82    72    60   0.00600 -1.0 2.0
   77    82    72    60   0.04400  1.0 3.0
   78    77    82    83   0.33100  1.0 3.0
   78    77    82    54   0.00000  1.0 1.0
   78    77    82    72   0.00000  1.0 1.0
   82    54   -57    60   0.09700  1.0 1.0
   82    54   -57    60   0.15600 -1.0 2.0
   82    54   -57    60  -0.50800  1.0 3.0
   82    54    57    62   0.09850  1.0 1.0
   82    54    57    62   0.15250 -1.0 2.0
   82    54    57    62  -0.50650  1.0 3.0
   83    82    54    49   0.15000  1.0 3.0
   83    82    54    55   0.15000  1.0 3.0
   83    82    54    57   0.15000  1.0 3.0
   83    82    72    60   0.08050  1.0 3.0
   54    49    51    52   0.15000  1.0 3.0
   54    49    51    53   0.15000  1.0 3.0
   54    49    51    56   0.34400  1.0 1.0
   54    49    51    56   0.09450 -1.0 2.0
   54    49    51    56   0.11100  1.0 3.0
   54    82   -72    60  -0.25900  1.0 1.0
   54    82   -72    60  -0.47000 -1.0 2.0
   54    82   -72    60   0.11750  1.0 3.0
   54    57    60    61  -0.64400  1.0 1.0
   54    57    60    61   0.26850 -1.0 2.0
   54    57   -60    72  -0.15000  1.0 1.0
   54    57   -60    72   0.89550 -1.0 2.0
   54    57   -60    72  -0.06900  1.0 3.0
   54    57    62    63   7.00000 -1.0 2.0
   54    57    62    64   7.00000 -1.0 2.0
   55    54    57    60   0.15000  1.0 3.0
   55    54    57    62   0.00000  1.0 1.0
   57    60   -72    82   2.00000 -1.0 2.0
   60    57    62    63   7.00000 -1.0 2.0
   60    57    62    64   7.00000 -1.0 2.0
   61    60    72    82   3.00000 -1.0 2.0
   72    82    54    49   0.62750  1.0 1.0
   72    82    54    49  -0.30950 -1.0 2.0
   72    82    54    49   0.27300  1.0 3.0
   72    82    54    55   0.23400  1.0 3.0
   72    82   -54    57   0.61850  1.0 1.0
   72    82   -54    57  -0.22750 -1.0 2.0
   72    82   -54    57   0.15300  1.0 3.0
   62    57    60    61   1.00000 -1.0 2.0
   62    57    60    72  -0.56150  1.0 1.0
   62    57    60    72   2.19150 -1.0 2.0
   79    76    77    78   7.00000 -1.0 2.0
   79    76    77    82   7.00000 -1.0 2.0
   80    79    84    85   0.19450  1.0 3.0
   81    79    84    85   0.19450  1.0 3.0
   65    56    58    59   7.00000 -1.0 2.0
   65    56    58    69   7.00000 -1.0 2.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    46   0.36750  1.0 3.0
   44    43    47    48   0.19450  1.0 3.0
   45    43    47    48   0.19450  1.0 3.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   39    46    41    42  10.50000 -1.0 2.0
   51    65    56    58   1.10000 -1.0 2.0
   69    59    58    56   1.10000 -1.0 2.0
   73    79    76    77   1.10000 -1.0 2.0
   82    78    77    76   1.10000 -1.0 2.0
   54    60    57    62   1.10000 -1.0 2.0
   57    72    60    61  10.50000 -1.0 2.0
   63    64    62    57   1.10000 -1.0 2.0
END
