* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    166    263     496
    1     0 S   NP   _N1_     1    28.41113    96.84182   -22.83301
    2     1 S   H    _HN1     2     1.02952    75.57567    16.96503
    3     1 S   H    _H1_     3     1.02828    38.18225   161.80196
    4     1 S   H    _H2_     4     1.02781    98.45606   -89.92511
    5     1 S   CT   _CA1     5     1.50114   143.78331   121.89080
    6     5 S   HC   _HA1     6     1.09574   105.20870    84.29043
    7     5 S   CO3  _C1_     7     1.53792   112.43394   -35.93270
    8     7 S   O2Z  _O11     8     1.26369   115.00068   -42.91334
    9     7 S   O2Z  _O12     9     1.26241   114.94399   136.22929
   10     5 S   CT   _CB1    10     1.53087   107.42010  -157.75253
   11    10 S   HC   HB11    11     1.09829   109.36408   -50.11270
   12    10 S   HC   HB12    12     1.09814   110.44303    66.48818
   13    10 S   CT   _CG1    13     1.52974   112.60640  -171.13315
   14    13 S   HC   HG11    14     1.09597   110.55649   -64.98813
   15    13 S   HC   HG12    15     1.09668   109.86505    54.23329
   16    13 S   C    _CD1    16     1.51800   112.31862   174.64818
   17    16 S   O    _OE1    17     1.22720   123.34322     3.37707
   18    16 S   N    _N2_    18     1.38616   111.56862  -176.70711
   19    18 S   H    _HN2    19     1.01591   118.92458     1.61737
   20    18 S   CT1  _CA2    20     1.46200   123.47773   178.54035
   21    20 S   HC   _HA2    21     1.09737   109.42367    -2.64538
   22    20 S   C    _C2_    22     1.53492   108.44397  -118.09001
   23    22 S   O    _O2_    23     1.23038   122.34969  -148.18670
   24    20 S   CT   _CB2    32     1.53505   111.39839   119.46949
   25    24 S   HC   HB21    33     1.09304   109.37441    55.89583
   26    24 S   HC   HB22    34     1.09405   109.69452   174.62531
   27    22 S   N    _N3_    24     1.38355   113.59088    39.32307
   28    27 S   H    _HN3    25     1.01613   119.53824    -3.54851
   29    24 S   S    _SG2    35     1.83052   110.96780   -66.35719
   30    27 S   CT   _CA3    26     1.45286   123.16077   177.01883
   31    30 S   HC   HA31    27     1.09551   107.52235   -64.05515
   32    30 S   HC   HA32    28     1.09558   107.95720    52.36319
   33    29 S   CT   _C7_    36     1.87887   102.85828   160.86871
   34    30 S   CO3  _C3_    29     1.52943   114.11736   174.34958
   35    34 S   O2Z  _O31    30     1.26371   116.06758    -0.71518
   36    34 S   O2Z  _O32    31     1.26431   114.41080   179.34091
   37    33 S   CO4  _C8_    37     1.51727   106.66823    62.86297
   38    37 S   O    _O35    38     1.22536   125.14890   -68.40518
   39    33 S   CT   _C5_    76     1.56805   114.52555   -56.76574
   40    39 S   HC   _H7_    77     1.09849   108.05355    73.81412
   41    37 S   CO4  _C9_    39     1.49806   118.06456   113.55247
   42    41 S   O    _O34    40     1.22250   117.21284   151.75559
   43    39 S   CT   _C4_    78     1.53968   111.98234  -170.94347
   44    43 S   HC   _H4_    79     1.09429   111.97499    68.20174
   45    43 S   HC   _H5_    80     1.09444   111.46035   -53.20565
   46    43 S   HC   _H6_    81     1.09583   110.37391  -172.21260
   47    39 S   CT   _C6_    82     1.53639   116.23512   -44.79722
   48    47 S   HC   _H8_    83     1.09274   112.48674   -63.14746
   49    47 S   HC   _H9_    84     1.09634   110.06060   177.64790
   50    47 S   HC   _H10    85     1.09279   112.18742    59.26703
   51    41 S   CM   _C10    41     1.48364   118.81538   -29.26291
   52    51 S   CM   _C11    42     1.34520   117.80830    30.94885
   53    33 S   CO4  _C12    43     1.53580   102.50098  -178.10081
   54    53 S   O    _O33    44     1.23181   122.12538    84.70005
   55    52 S   CT   _C13    45     1.50890   123.53950   175.39249
   56    55 S   HC   _H11    46     1.09826   107.69323   118.38906
   57    55 S   HC   _H12    47     1.09676   110.34177  -125.44196
   58    55 S   CT   _C14    48     1.53018   115.32860    -2.49716
   59    58 S   HC   _H13    49     1.09438   107.70995   155.82976
   60    58 S   HC   _H14    50     1.09505   109.64684   -89.48480
   61    58 S   CT   _C15    51     1.53752   110.83819    33.33926
   62    61 S   HC   _H3_    52     1.10466   105.19525    51.72785
   63    51 S   CT   _C16    53     1.54547   119.60378  -152.77060
   64    63 S   CT   _C17    54     1.55242   111.83506    40.35814
   65    64 S   HC   _H15    55     1.09867   109.59833    49.70522
   66    64 S   HC   _H16    56     1.09547   111.15497   -67.51177
   67    63 S   CT   _C23    72     1.54677   105.85901   -78.92377
   68    67 S   HC   _H27    73     1.08793   113.27144   177.39646
   69    67 S   HC   _H28    74     1.09634   111.30841    58.96475
   70    67 S   HC   _H29    75     1.09463   112.43098   -60.22726
   71    64 S   CT   _C18    57     1.52763   113.62973   171.51768
   72    71 S   HC   _H17    58     1.09476   110.61797    65.76630
   73    71 S   HC   _H18    59     1.09684   108.84001  -178.15666
   74    71 S   CT   _C19    60     1.52180   111.88287   -57.80745
   75    74 S   HC   _H19    61     1.09755   109.11800   179.01384
   76    74 S   HC   _H20    62     1.09885   107.82111   -66.28670
   77    61 S   CT   _C20    63     1.56987   114.55961   164.79747
   78    77 S   CT   _C21    64     1.53988   114.65460    55.84309
   79    78 S   HC   _H21    65     1.09426   111.84540   -50.59897
   80    78 S   HC   _H22    66     1.09731   110.55839  -169.52251
   81    78 S   HC   _H23    67     1.08904   113.26937    72.14147
   82    77 S   CT   _C22    68     1.55283   109.61313   -63.41045
   83    82 S   HC   _H24    69     1.09450   112.02711    70.04222
   84    82 S   HC   _H25    70     1.09576   111.41581   -51.02880
   85    82 S   HC   _H26    71     1.09672   110.98639  -170.54759
  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  11   5   4   3
  19   2   1   1  12   5  13   9   9   3   8   3   2   1   4   2
   1   1  19  12   6   1   9   5   4  11   5   4  22   7  14  13
   6   5   5   2   1   1   8   5   4  11   4   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    52    53    54    39    40    43    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    51    52    53    54    55    39    40    43    44    45    46    47    48    49    50  
   35    36  
   36  
    0  
   38    41    42    51    52    53    54    63    39    40    43    47  
   41    42    51    53    39  
   40    43    44    45    46    47    48    49    50    41    52    53    54  
   43    44    45    46    47    48    49    50    53  
   42    51    52    53    55    61    63    64    67  
   51    52    63  
   44    45    46    47    48    49    50    53  
   45    46    47  
   46    47  
   47  
   48    49    50    53  
   49    50  
   50  
    0  
   52    53    54    55    56    57    58    61    62    63    64    65    66    71    77    67    68    69    70  
   53    54    55    56    57    58    59    60    61    63    64    67  
   54    55    56    57    58    63  
   55  
   56    57    58    59    60    61    62    63    77  
   57    58    59    60    61  
   58    59    60    61  
   59    60    61    62    63    64    74    77    78    82    67  
   60    61    62    63    77  
   61    62    63    77  
   62    63    64    65    66    71    74    75    76    77    78    79    80    81    82    83    84    85    67    68    69    70  
   63    64    74    77    78    82    67  
   64    65    66    71    72    73    74    77    78    82    67    68    69    70  
   65    66    71    72    73    74    75    76    77    67    68    69    70  
   66    71    72    73    74    67  
   71    72    73    74    67  
   68    69    70    71    77  
   69    70  
   70  
    0  
   72    73    74    75    76    77    78    82  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77    78    79    80    81    82    83    84    85  
   76    77    78    82  
   77    78    82  
   78    79    80    81    82    83    84    85  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82  
   83    84    85  
   84    85  
   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   0.167500   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   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   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   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    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  1.522
   33    53   317.000  1.522
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   250.000  1.523
   41    42   570.000  1.229
   41    51   320.000  1.462
   51    52   549.000  1.340
   51    63   317.000  1.510
   52    53   320.000  1.462
   52    55   317.000  1.510
   53    54   570.000  1.229
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    77   268.000  1.529
   63    64   268.000  1.529
   63    67   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    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   340.000  1.090
   74    77   268.000  1.529
   77    78   268.000  1.529
   77    82   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   39    40   340.000  1.090
   39    43   268.000  1.529
   39    47   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    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  110.18000
   29    33    53    75.00000  110.18000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.45000
   33    53    52    65.00000  118.62400
   33    53    54    80.00000  120.40000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   33    39    47    58.35000  112.70000
   37    41    42    80.00000  119.30300
   37    41    51    65.00000  116.00000
   41    37    38    80.00000  119.30300
   41    51    52    65.00000  118.96000
   41    51    63    65.00000  116.34900
   51    41    42    80.00000  123.72100
   51    52    53    65.00000  118.96000
   51    52    55    70.00000  124.00000
   51    63    61    70.00000  112.02700
   51    63    64    70.00000  112.02700
   51    63    67    70.00000  112.02700
   52    53    54    80.00000  123.72100
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    58    70.00000  112.02700
   53    33    37    75.00000  107.99600
   55    52    53    65.00000  116.34900
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    61    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    58.35000  112.70000
   58    61    77    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    63    64    58.35000  112.70000
   61    63    67    58.35000  112.70000
   61    77    74    58.35000  112.70000
   61    77    78    58.35000  112.70000
   61    77    82    58.35000  112.70000
   63    51    52    70.00000  124.00000
   63    61    62    37.50000  110.70000
   63    64    65    37.50000  110.70000
   63    64    66    37.50000  110.70000
   63    64    71    58.35000  112.70000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    70    37.50000  110.70000
   64    71    72    37.50000  110.70000
   64    71    73    37.50000  110.70000
   64    71    74    58.35000  112.70000
   66    64    65    33.00000  107.80000
   71    64    65    37.50000  110.70000
   71    64    66    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    77    78    58.35000  112.70000
   74    77    82    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    61    62    37.50000  110.70000
   77    61    63    58.35000  112.70000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    78    79    37.50000  110.70000
   77    78    80    37.50000  110.70000
   77    78    81    37.50000  110.70000
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    85    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    77    78    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   67    63    64    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    53    63.00000  111.10000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   39    47    48    37.50000  110.70000
   39    47    49    37.50000  110.70000
   39    47    50    37.50000  110.70000
   43    39    40    37.50000  110.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    39    40    37.50000  110.70000
   47    39    43    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  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    37    38   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    53    52   0.65300  1.0 1.0
   29    33    53    52  -0.03850 -1.0 2.0
   29    33    53    52   0.33900  1.0 3.0
   29    33    53    54   0.30150 -1.0 2.0
   29    33    39    40   0.15000  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
   29    33    39    47   0.44750  1.0 1.0
   29    33    39    47  -0.17800 -1.0 2.0
   29    33    39    47   0.20200  1.0 3.0
   33    37    41    42   0.49600 -1.0 2.0
   33    37    41    51   0.43900  1.0 1.0
   33    37    41    51  -0.18150 -1.0 2.0
   33    37    41    51  -0.03650  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    46   0.15000  1.0 3.0
   33    39    47    48   0.15000  1.0 3.0
   33    39    47    49   0.15000  1.0 3.0
   33    39    47    50   0.15000  1.0 3.0
   37    33    53    52   0.65300  1.0 1.0
   37    33    53    52  -0.03850 -1.0 2.0
   37    33    53    52   0.33900  1.0 3.0
   37    33    53    54   0.30150 -1.0 2.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    43  -0.95700  1.0 1.0
   37    33    39    43  -0.18200 -1.0 2.0
   37    33    39    43   0.29450  1.0 3.0
   37    33    39    47  -0.95700  1.0 1.0
   37    33    39    47  -0.18200 -1.0 2.0
   37    33    39    47   0.29450  1.0 3.0
   37    41   -51    52   0.50400  1.0 1.0
   37    41   -51    52   1.60000 -1.0 2.0
   37    41   -51    52  -0.01800  1.0 3.0
   37    41    51    63   1.50000 -1.0 2.0
   38    37    41    42   0.06100 -1.0 2.0
   38    37    41    51   0.03000  1.0 1.0
   38    37    41    51   0.58800 -1.0 2.0
   38    37    41    51   0.15550  1.0 3.0
   41    51    52    53   7.00000 -1.0 2.0
   41    51    52    55   7.00000 -1.0 2.0
   41    51    63    61   0.09700  1.0 1.0
   41    51    63    61   0.15600 -1.0 2.0
   41    51    63    61  -0.50800  1.0 3.0
   41    51    63    64   0.09700  1.0 1.0
   41    51    63    64   0.15600 -1.0 2.0
   41    51    63    64  -0.50800  1.0 3.0
   41    51    63    67   0.09700  1.0 1.0
   41    51    63    67   0.15600 -1.0 2.0
   41    51    63    67  -0.50800  1.0 3.0
   42    41    51    52   1.00000 -1.0 2.0
   42    41    51    63  -0.64400  1.0 1.0
   42    41    51    63   0.26850 -1.0 2.0
   51    52   -53    33  -0.33500  1.0 1.0
   51    52   -53    33   1.06600 -1.0 2.0
   51    52   -53    33  -0.14000  1.0 3.0
   51    52    53    54   1.00000 -1.0 2.0
   51    52    55    56   0.00000  1.0 1.0
   51    52    55    57   0.00000  1.0 1.0
   51    52    55    58   0.09850  1.0 1.0
   51    52    55    58   0.15250 -1.0 2.0
   51    52    55    58  -0.50650  1.0 3.0
   51    63    64    65   0.15000  1.0 3.0
   51    63    64    66   0.15000  1.0 3.0
   51    63    64    71   0.34400  1.0 1.0
   51    63    64    71   0.09450 -1.0 2.0
   51    63    64    71   0.11100  1.0 3.0
   51    63    67    68   0.15000  1.0 3.0
   51    63    67    69   0.15000  1.0 3.0
   51    63    67    70   0.15000  1.0 3.0
   52    51    63    61   0.09850  1.0 1.0
   52    51    63    61   0.15250 -1.0 2.0
   52    51    63    61  -0.50650  1.0 3.0
   52    51    63    64   0.09850  1.0 1.0
   52    51    63    64   0.15250 -1.0 2.0
   52    51    63    64  -0.50650  1.0 3.0
   52    51    63    67   0.09850  1.0 1.0
   52    51    63    67   0.15250 -1.0 2.0
   52    51    63    67  -0.50650  1.0 3.0
   52    55    58    59   0.15000  1.0 3.0
   52    55    58    60   0.15000  1.0 3.0
   52    55   -58    61   0.34400  1.0 1.0
   52    55   -58    61   0.09450 -1.0 2.0
   52    55   -58    61   0.11100  1.0 3.0
   53    33    37    38   0.30150 -1.0 2.0
   53    33   -37    41   0.65300  1.0 1.0
   53    33   -37    41  -0.03850 -1.0 2.0
   53    33   -37    41   0.33900  1.0 3.0
   53    33    39    40  -0.11250  1.0 3.0
   53    33    39    43  -0.95700  1.0 1.0
   53    33    39    43  -0.18200 -1.0 2.0
   53    33    39    43   0.29450  1.0 3.0
   53    33    39    47  -0.95700  1.0 1.0
   53    33    39    47  -0.18200 -1.0 2.0
   53    33    39    47   0.29450  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.09700  1.0 1.0
   53    52    55    58   0.15600 -1.0 2.0
   53    52    55    58  -0.50800  1.0 3.0
   55    52    53    33   0.25700  1.0 1.0
   55    52    53    33   0.66200 -1.0 2.0
   55    52    53    33   0.04450  1.0 3.0
   55    52    53    54  -0.64400  1.0 1.0
   55    52    53    54   0.26850 -1.0 2.0
   55    58    61    62   0.15000  1.0 3.0
   55    58    61    63   0.56750  1.0 1.0
   55    58    61    63  -0.07550 -1.0 2.0
   55    58    61    63   0.20000  1.0 3.0
   55    58    61    77   0.56750  1.0 1.0
   55    58    61    77  -0.07550 -1.0 2.0
   55    58    61    77   0.20000  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    61   0.15000  1.0 3.0
   58    61   -63    51   0.34400  1.0 1.0
   58    61   -63    51   0.09450 -1.0 2.0
   58    61   -63    51   0.11100  1.0 3.0
   58    61    63    64   0.56750  1.0 1.0
   58    61    63    64  -0.07550 -1.0 2.0
   58    61    63    64   0.20000  1.0 3.0
   58    61    63    67   0.56750  1.0 1.0
   58    61    63    67  -0.07550 -1.0 2.0
   58    61    63    67   0.20000  1.0 3.0
   58    61    77    74   0.56750  1.0 1.0
   58    61    77    74  -0.07550 -1.0 2.0
   58    61    77    74   0.20000  1.0 3.0
   58    61    77    78   0.56750  1.0 1.0
   58    61    77    78  -0.07550 -1.0 2.0
   58    61    77    78   0.20000  1.0 3.0
   58    61    77    82   0.56750  1.0 1.0
   58    61    77    82  -0.07550 -1.0 2.0
   58    61    77    82   0.20000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    77   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    77   0.15000  1.0 3.0
   61    63    64    65   0.15000  1.0 3.0
   61    63    64    66   0.15000  1.0 3.0
   61    63    64    71   0.56750  1.0 1.0
   61    63    64    71  -0.07550 -1.0 2.0
   61    63    64    71   0.20000  1.0 3.0
   61    63    67    68   0.15000  1.0 3.0
   61    63    67    69   0.15000  1.0 3.0
   61    63    67    70   0.15000  1.0 3.0
   61    77    78    79   0.15000  1.0 3.0
   61    77    78    80   0.15000  1.0 3.0
   61    77    78    81   0.15000  1.0 3.0
   61    77    82    83   0.15000  1.0 3.0
   61    77    82    84   0.15000  1.0 3.0
   61    77    82    85   0.15000  1.0 3.0
   62    61    63    51   0.15000  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    67   0.15000  1.0 3.0
   62    61    77    74   0.15000  1.0 3.0
   62    61    77    78   0.15000  1.0 3.0
   62    61    77    82   0.15000  1.0 3.0
   63    51    52    53   7.00000 -1.0 2.0
   63    51   -52    55   7.00000 -1.0 2.0
   63    61    77    74   0.56750  1.0 1.0
   63    61    77    74  -0.07550 -1.0 2.0
   63    61    77    74   0.20000  1.0 3.0
   63    61    77    78   0.56750  1.0 1.0
   63    61    77    78  -0.07550 -1.0 2.0
   63    61    77    78   0.20000  1.0 3.0
   63    61    77    82   0.56750  1.0 1.0
   63    61    77    82  -0.07550 -1.0 2.0
   63    61    77    82   0.20000  1.0 3.0
   63    64    71    72   0.15000  1.0 3.0
   63    64    71    73   0.15000  1.0 3.0
   63    64   -71    74   0.56750  1.0 1.0
   63    64   -71    74  -0.07550 -1.0 2.0
   63    64   -71    74   0.20000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    69   0.15000  1.0 3.0
   64    63    67    70   0.15000  1.0 3.0
   64    71    74    75   0.15000  1.0 3.0
   64    71    74    76   0.15000  1.0 3.0
   64    71    74    77   0.56750  1.0 1.0
   64    71    74    77  -0.07550 -1.0 2.0
   64    71    74    77   0.20000  1.0 3.0
   65    64    71    72   0.15000  1.0 3.0
   65    64    71    73   0.15000  1.0 3.0
   65    64    71    74   0.15000  1.0 3.0
   66    64    71    72   0.15000  1.0 3.0
   66    64    71    73   0.15000  1.0 3.0
   66    64    71    74   0.15000  1.0 3.0
   71    74   -77    61   0.56750  1.0 1.0
   71    74   -77    61  -0.07550 -1.0 2.0
   71    74   -77    61   0.20000  1.0 3.0
   71    74    77    78   0.56750  1.0 1.0
   71    74    77    78  -0.07550 -1.0 2.0
   71    74    77    78   0.20000  1.0 3.0
   71    74    77    82   0.56750  1.0 1.0
   71    74    77    82  -0.07550 -1.0 2.0
   71    74    77    82   0.20000  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    77   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    76   0.15000  1.0 3.0
   73    71    74    77   0.15000  1.0 3.0
   74    77    78    79   0.15000  1.0 3.0
   74    77    78    80   0.15000  1.0 3.0
   74    77    78    81   0.15000  1.0 3.0
   74    77    82    83   0.15000  1.0 3.0
   74    77    82    84   0.15000  1.0 3.0
   74    77    82    85   0.15000  1.0 3.0
   75    74    77    61   0.15000  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    82   0.15000  1.0 3.0
   76    74    77    61   0.15000  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    82   0.15000  1.0 3.0
   77    61    63    51   0.34400  1.0 1.0
   77    61    63    51   0.09450 -1.0 2.0
   77    61    63    51   0.11100  1.0 3.0
   77    61   -63    64   0.56750  1.0 1.0
   77    61   -63    64  -0.07550 -1.0 2.0
   77    61   -63    64   0.20000  1.0 3.0
   77    61    63    67   0.56750  1.0 1.0
   77    61    63    67  -0.07550 -1.0 2.0
   77    61    63    67   0.20000  1.0 3.0
   78    77    82    83   0.15000  1.0 3.0
   78    77    82    84   0.15000  1.0 3.0
   78    77    82    85   0.15000  1.0 3.0
   82    77    78    79   0.15000  1.0 3.0
   82    77    78    80   0.15000  1.0 3.0
   82    77    78    81   0.15000  1.0 3.0
   67    63    64    65   0.15000  1.0 3.0
   67    63    64    66   0.15000  1.0 3.0
   67    63    64    71   0.56750  1.0 1.0
   67    63    64    71  -0.07550 -1.0 2.0
   67    63    64    71   0.20000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.65300  1.0 1.0
   39    33    37    41  -0.03850 -1.0 2.0
   39    33    37    41   0.33900  1.0 3.0
   39    33    53    52   0.65300  1.0 1.0
   39    33    53    52  -0.03850 -1.0 2.0
   39    33    53    52   0.33900  1.0 3.0
   39    33    53    54   0.30150 -1.0 2.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    46   0.15000  1.0 3.0
   40    39    47    48   0.15000  1.0 3.0
   40    39    47    49   0.15000  1.0 3.0
   40    39    47    50   0.15000  1.0 3.0
   43    39    47    48   0.15000  1.0 3.0
   43    39    47    49   0.15000  1.0 3.0
   43    39    47    50   0.15000  1.0 3.0
   47    39    43    44   0.15000  1.0 3.0
   47    39    43    45   0.15000  1.0 3.0
   47    39    43    46   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   37    51    41    42  10.50000 -1.0 2.0
   41    63    51    52   1.10000 -1.0 2.0
   53    55    52    51   1.10000 -1.0 2.0
   33    52    53    54  10.50000 -1.0 2.0
END
