* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    157    247     472
    1     0 S   NP   _N1_     1    28.65579    93.95415   -21.00858
    2     1 S   H    _HN1     2     1.02974    95.58608    44.19757
    3     1 S   H    _H1_     3     1.02832    25.79997   162.49660
    4     1 S   H    _H2_     4     1.02778    90.61547   -64.27656
    5     1 S   CT   _CA1     5     1.50139   136.32622   171.69199
    6     5 S   HC   _HA1     6     1.09581   105.23610    54.88168
    7     5 S   CO3  _C1_     7     1.53814   112.39414   -65.27049
    8     7 S   O2Z  _O11     8     1.26357   115.03764   -43.13677
    9     7 S   O2Z  _O12     9     1.26255   114.92275   136.03525
   10     5 S   CT   _CB1    10     1.53086   107.39103   172.73250
   11    10 S   HC   HB11    11     1.09823   109.29922   -51.12707
   12    10 S   HC   HB12    12     1.09840   110.39152    65.37585
   13    10 S   CT   _CG1    13     1.53028   112.73895  -172.33904
   14    13 S   HC   HG11    14     1.09601   110.24526   -62.37993
   15    13 S   HC   HG12    15     1.09630   110.21463    56.85709
   16    13 S   C    _CD1    16     1.51793   112.15891   177.04256
   17    16 S   O    _OE1    17     1.22744   123.17424   -11.92180
   18    16 S   N    _N2_    18     1.38658   111.72804   168.64967
   19    18 S   H    _HN2    19     1.01582   119.11060     1.70364
   20    18 S   CT1  _CA2    20     1.46248   123.26883  -177.07450
   21    20 S   HC   _HA2    21     1.09742   109.29303   -14.23475
   22    20 S   C    _C2_    22     1.53409   108.52207  -129.98409
   23    22 S   O    _O2_    23     1.23016   122.24037  -146.62231
   24    20 S   CT   _CB2    32     1.53751   111.41506   107.68294
   25    24 S   HC   HB21    33     1.09337   109.08997    57.57722
   26    24 S   HC   HB22    34     1.09442   109.57103   176.27585
   27    22 S   N    _N3_    24     1.38513   113.36060    40.81789
   28    27 S   H    _HN3    25     1.01531   118.88611    -0.63458
   29    24 S   S    _SG2    35     1.82977   111.02513   -64.53921
   30    27 S   CT   _CA3    26     1.45449   123.45438   175.10907
   31    30 S   HC   HA31    27     1.09523   109.23216    24.35060
   32    30 S   HC   HA32    28     1.09495   107.11975   141.35002
   33    29 S   CT   _C9_    36     1.92188   103.98615   167.27893
   34    30 S   CO3  _C3_    29     1.52928   113.13552   -99.12796
   35    34 S   O2Z  _O31    30     1.26402   115.41436   -44.27663
   36    34 S   O2Z  _O32    31     1.26358   114.97897   136.67152
   37    33 S   CT   _C8_    37     1.58149    99.16278   160.30356
   38    37 S   HC   _H10    38     1.10274   107.69084   -42.24853
   39    37 S   HC   _H11    39     1.08624   109.62552  -149.19019
   40    33 S   CT   _C10    59     1.58687   109.11195    46.34137
   41    40 S   HC   _H5_    60     1.09857   107.54692    35.89905
   42    33 S   CO   _C18    67     1.57773   103.81631   -74.35600
   43    42 S   HC   _H7_    68     1.09361   107.56496    34.15856
   44    37 S   CT   _C7_    40     1.55461   123.44574    84.72809
   45    44 S   HC   _H4_    41     1.08800   114.30744   -13.54351
   46    40 S   OH   _O37    61     1.43018   110.89579   -79.73055
   47    46 S   HO   _H20    62     0.97238   107.95160   172.09776
   48    42 S   OH   _O36    69     1.41786   114.47335   -81.34358
   49    48 S   HO   _H19    70     0.97231   107.52530   140.68217
   50    44 S   CT   _C6_    42     1.55556   112.33821   113.78856
   51    50 S   HC   _H3_    43     1.10198   107.71613    61.55540
   52    44 S   OS   _O38    74     1.46300   105.20563  -132.25568
   53    50 S   CM   _C5_    44     1.49898   119.43436  -178.74555
   54    52 S   CO4  _C19    75     1.35995   118.32284    98.39331
   55    54 S   O    _O39    76     1.22230   126.17853     3.56150
   56    53 S   CO4  _C16    45     1.48573   107.16097   158.20495
   57    56 S   O    _O34    46     1.21718   127.24620   164.25353
   58    53 S   CM   _C4_    71     1.33506   132.04526   -18.77781
   59    58 S   HC   _H8_    72     1.08270   121.86252    -1.49135
   60    58 S   HC   _H9_    73     1.08557   121.47376   178.36577
   61    54 S   CM   _C20    77     1.48922   109.58218  -176.22602
   62    56 S   OS   _O33    47     1.36784   106.75787   -14.51318
   63    61 S   CM   _C21    78     1.34214   116.92756   166.72068
   64    63 S   HC   _H21    79     1.08551   120.97930  -179.55809
   65    63 S   HC   _H22    80     1.08560   122.46157     0.33862
   66    61 S   CT   _C22    81     1.49868   120.62923   -12.16231
   67    66 S   HC   _H23    82     1.09540   111.58863   174.72578
   68    66 S   HC   _H24    83     1.09513   110.99730    54.59947
   69    50 S   CT   _C15    48     1.53291   116.77940   -62.52999
   70    69 S   HC   _H6_    49     1.09360   110.17542   -52.82155
   71    66 S   OH   _O40    84     1.42134   109.40072   -65.89986
   72    71 S   HO   _H25    85     0.97230   107.05578   178.36362
   73    69 S   CM   _C14    50     1.50227   112.75130    73.50512
   74    73 S   HC   _H16    51     1.08944   115.36185    53.50527
   75    73 S   CM   _C13    52     1.34736   125.11127  -113.84746
   76    75 S   CT   _C12    53     1.50960   120.93351   159.34681
   77    76 S   HC   _H14    54     1.09795   109.24027    49.17058
   78    76 S   HC   _H15    55     1.09726   110.24297   164.34361
   79    75 S   CT   _C17    63     1.49779   124.42283   -15.24138
   80    79 S   HC   _H17    64     1.09698   107.93348  -123.98551
   81    79 S   HC   _H18    65     1.09179   115.40762    -7.36093
   82    76 S   CT   _C11    56     1.54256   113.91641   -72.51478
   83    82 S   HC   _H12    57     1.09566   109.30519    72.24784
   84    82 S   HC   _H13    58     1.09966   105.67309  -175.97134
   85    79 S   OS   _O35    66     1.41482   111.00614   119.29587
  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  13   5   4   3
  21   2   1   1  18   7   6  15   7  11   4  14   6   5   1   3
   1  15   8   7   9   9   3   8   3   4   1   1   8   5   6   2
   1   4   3   2   6   3   1   1  10   3  10   9   5   4   4   2
   1   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    82    40    41    46    85    42    43    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    50    76    82    83    84    40    41    46    47    79    85    42    43    48    49    52  
   35    36  
   36  
    0  
   38    39    44    45    50    51    53    69    82    40    41    46    85    42    43    48    52    54  
   39    44    45    50    40    42    52  
   44    45    50    40    42    52  
   41    46    47    85    42    43    48    44    75    76    77    78    82    83    84  
   46    47    42    76    82    83    84  
   43    48    49    44    46    75    79    80    81    82    85  
   48    49    79    85  
   45    50    51    53    56    62    69    70    73    58    52    54    55    61  
   50    51    53    69    52    54  
   47    76    82    83    84  
   82  
   49    79    85  
   85  
   51    53    56    57    62    69    70    73    74    75    58    59    60    52    54  
   53    56    62    69    70    73    58    52  
   54    55    61    63    66    53    69  
   56    57    62    69    70    73    58    59    60  
   55    61    63    64    65    66    67    68    71  
   61    63    66  
   57    62    69    70    73    58    59    60  
   62    69    58  
   59    60    62    69  
   60  
    0  
   63    64    65    66    67    68    71    72  
   69    70    73    74    75  
   64    65    66    67    68    71  
   65    66  
   66  
   67    68    71    72  
   68    71    72  
   71    72  
   70    73    74    75    76    79  
   73    74    75  
   72  
    0  
   74    75    76    77    78    82    79    80    81    85  
   75    76    79  
   76    77    78    82    83    84    79    80    81    85  
   77    78    82    83    84    79    80    81    85  
   78    82    83    84    79  
   82    83    84    79  
   80    81    85    82  
   81    85  
   85  
   83    84  
   84  
    0  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.120000   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
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   268.000  1.529
   33    40   268.000  1.529
   33    42   250.000  1.527
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   268.000  1.529
   44    45   340.000  1.090
   44    50   268.000  1.529
   44    52   320.000  1.410
   50    51   340.000  1.090
   50    53   317.000  1.510
   50    69   268.000  1.529
   53    56   320.000  1.462
   53    58   549.000  1.340
   56    57   570.000  1.229
   56    62   214.000  1.327
   62    69   320.000  1.410
   69    70   340.000  1.090
   69    73   317.000  1.510
   73    74   340.000  1.080
   73    75   549.000  1.340
   75    76   317.000  1.510
   75    79   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    40   268.000  1.529
   40    41   340.000  1.090
   40    46   320.000  1.410
   46    47   553.000  0.945
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    85   320.000  1.410
   85    42   320.000  1.380
   42    43   340.000  1.090
   42    48   380.000  1.407
   48    49   553.000  0.945
   58    59   340.000  1.080
   58    60   340.000  1.080
   52    54   214.000  1.327
   54    55   570.000  1.229
   54    61   320.000  1.462
   61    63   549.000  1.340
   61    66   317.000  1.510
   63    64   340.000  1.080
   63    65   340.000  1.080
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   320.000  1.410
   71    72   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    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  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    58.35000  112.70000
   33    40    82    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    46    50.00000  109.50000
   33    42    85    90.00000  108.56700
   33    42    43    45.00000  112.01100
   33    42    48    90.00000  110.19100
   37    44    45    37.50000  110.70000
   37    44    50    58.35000  112.70000
   37    44    52    50.00000  109.50000
   39    37    38    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    39    37.50000  110.70000
   44    50    51    37.50000  110.70000
   44    50    53    70.00000  112.02700
   44    50    69    58.35000  112.70000
   44    52    54    83.00000  116.90000
   50    44    45    37.50000  110.70000
   50    53    56    65.00000  116.34900
   50    53    58    70.00000  124.00000
   50    69    62    50.00000  109.50000
   50    69    70    37.50000  110.70000
   50    69    73    70.00000  112.02700
   53    50    51    35.00000  109.50000
   53    56    57    80.00000  123.72100
   53    56    62    90.00000  111.29400
   53    58    59    35.00000  120.00000
   53    58    60    35.00000  120.00000
   56    62    69    83.00000  116.90000
   62    56    57    83.00000  123.40000
   62    69    70    35.00000  109.50000
   62    69    73    85.00000  110.90400
   69    50    51    37.50000  110.70000
   69    50    53    70.00000  112.02700
   69    73    74    35.00000  117.00000
   69    73    75    70.00000  124.00000
   73    69    70    35.00000  109.50000
   73    75    76    70.00000  124.00000
   73    75    79    70.00000  124.00000
   75    73    74    35.00000  120.00000
   75    76    77    35.00000  109.50000
   75    76    78    35.00000  109.50000
   75    76    82    70.00000  112.02700
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    85    85.00000  110.90400
   76    82    83    37.50000  110.70000
   76    82    84    37.50000  110.70000
   76    82    40    58.35000  112.70000
   78    76    77    33.00000  107.80000
   82    76    77    37.50000  110.70000
   82    76    78    37.50000  110.70000
   82    40    41    37.50000  110.70000
   82    40    46    50.00000  109.50000
   84    82    83    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    82    83    37.50000  110.70000
   40    82    84    37.50000  110.70000
   40    46    47    55.00000  108.50000
   46    40    41    35.00000  109.50000
   79    75    76    65.00000  117.92700
   79    85    42    60.00000  109.50000
   81    79    80    33.00000  107.80000
   85    79    80    35.00000  109.50000
   85    79    81    35.00000  109.50000
   85    42    43    35.00000  109.50000
   85    42    48   110.00000  112.08000
   42    33    37    75.00000  109.43000
   42    33    40    75.00000  109.43000
   42    48    49    70.00000  107.92000
   48    42    43    60.00000  108.02500
   58    53    56    65.00000  118.96000
   60    58    59    35.00000  117.00000
   52    44    45    35.00000  109.50000
   52    44    50    50.00000  109.50000
   52    54    55    83.00000  123.40000
   52    54    61    90.00000  111.29400
   54    61    63    65.00000  118.96000
   54    61    66    65.00000  116.34900
   61    54    55    80.00000  123.72100
   61    63    64    35.00000  120.00000
   61    63    65    35.00000  120.00000
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    71    90.00000  110.39200
   65    63    64    35.00000  117.00000
   66    61    63    70.00000  124.00000
   66    71    72    55.00000  108.50000
   68    66    67    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    68    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    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    40    82   0.44750  1.0 1.0
   29    33    40    82  -0.17800 -1.0 2.0
   29    33    40    82   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    46   0.56750  1.0 1.0
   29    33    40    46  -0.07550 -1.0 2.0
   29    33    40    46   0.20000  1.0 3.0
   29    33    42    85   0.56750  1.0 1.0
   29    33    42    85  -0.07550 -1.0 2.0
   29    33    42    85   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    48   0.56750  1.0 1.0
   29    33    42    48  -0.07550 -1.0 2.0
   29    33    42    48   0.20000  1.0 3.0
   33    37    44    45   0.15000  1.0 3.0
   33    37    44    50   0.56750  1.0 1.0
   33    37    44    50  -0.07550 -1.0 2.0
   33    37    44    50   0.20000  1.0 3.0
   33    37    44    52   0.62750  1.0 1.0
   33    37    44    52  -0.30950 -1.0 2.0
   33    37    44    52   0.27300  1.0 3.0
   33    40    46    47  -0.11600  1.0 1.0
   33    40    46    47  -0.09450 -1.0 2.0
   33    40    46    47   0.21250  1.0 3.0
   33    42    48    49  -0.11600  1.0 1.0
   33    42    48    49  -0.09450 -1.0 2.0
   33    42    48    49   0.21250  1.0 3.0
   37    33    40    82   0.56750  1.0 1.0
   37    33    40    82  -0.07550 -1.0 2.0
   37    33    40    82   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    46   0.86500  1.0 1.0
   37    33    40    46  -0.17500 -1.0 2.0
   37    33    40    46   0.20800  1.0 3.0
   37    33    42    85   0.62750  1.0 1.0
   37    33    42    85  -0.30950 -1.0 2.0
   37    33    42    85   0.27300  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    48   0.86500  1.0 1.0
   37    33    42    48  -0.17500 -1.0 2.0
   37    33    42    48   0.20800  1.0 3.0
   37    44    50    51   0.15000  1.0 3.0
   37    44    50    53   0.34400  1.0 1.0
   37    44    50    53   0.09450 -1.0 2.0
   37    44    50    53   0.11100  1.0 3.0
   37    44    50    69   0.56750  1.0 1.0
   37    44    50    69  -0.07550 -1.0 2.0
   37    44    50    69   0.20000  1.0 3.0
   37    44    52    54  -0.25900  1.0 1.0
   37    44    52    54  -0.47000 -1.0 2.0
   37    44    52    54   0.11750  1.0 3.0
   38    37    44    45   0.15000  1.0 3.0
   38    37    44    50   0.15000  1.0 3.0
   38    37    44    52   0.23400  1.0 3.0
   39    37    44    45   0.15000  1.0 3.0
   39    37    44    50   0.15000  1.0 3.0
   39    37    44    52   0.23400  1.0 3.0
   44    50    53    56   0.09700  1.0 1.0
   44    50    53    56   0.15600 -1.0 2.0
   44    50    53    56  -0.50800  1.0 3.0
   44    50    53    58   0.09850  1.0 1.0
   44    50    53    58   0.15250 -1.0 2.0
   44    50    53    58  -0.50650  1.0 3.0
   44    50    69    62   0.62750  1.0 1.0
   44    50    69    62  -0.30950 -1.0 2.0
   44    50    69    62   0.27300  1.0 3.0
   44    50    69    70   0.15000  1.0 3.0
   44    50    69    73   0.34400  1.0 1.0
   44    50    69    73   0.09450 -1.0 2.0
   44    50    69    73   0.11100  1.0 3.0
   44    52    54    55   3.00000 -1.0 2.0
   44    52    54    61   2.00000 -1.0 2.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    53   0.15000  1.0 3.0
   45    44    50    69   0.15000  1.0 3.0
   45    44    52    54   0.08050  1.0 3.0
   50    44    52    54  -0.25900  1.0 1.0
   50    44    52    54  -0.47000 -1.0 2.0
   50    44    52    54   0.11750  1.0 3.0
   50    53    56    57  -0.64400  1.0 1.0
   50    53    56    57   0.26850 -1.0 2.0
   50    53   -56    62  -0.15000  1.0 1.0
   50    53   -56    62   0.89550 -1.0 2.0
   50    53   -56    62  -0.06900  1.0 3.0
   50    53    58    59   7.00000 -1.0 2.0
   50    53    58    60   7.00000 -1.0 2.0
   50    69    73    74   0.00000  1.0 1.0
   50    69    73    75   0.09850  1.0 1.0
   50    69    73    75   0.15250 -1.0 2.0
   50    69    73    75  -0.50650  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   51    50    53    58   0.00000  1.0 1.0
   51    50    69    62   0.23400  1.0 3.0
   51    50    69    70   0.15000  1.0 3.0
   51    50    69    73   0.15000  1.0 3.0
   53    50   -69    62   0.61850  1.0 1.0
   53    50   -69    62  -0.22750 -1.0 2.0
   53    50   -69    62   0.15300  1.0 3.0
   53    50    69    70   0.15000  1.0 3.0
   53    50    69    73   0.31000  1.0 1.0
   53    50    69    73   0.14700 -1.0 2.0
   53    50    69    73   0.07550  1.0 3.0
   53    56   -62    69   2.00000 -1.0 2.0
   56    53    58    59   7.00000 -1.0 2.0
   56    53    58    60   7.00000 -1.0 2.0
   56    62   -69    50  -0.25900  1.0 1.0
   56    62   -69    50  -0.47000 -1.0 2.0
   56    62   -69    50   0.11750  1.0 3.0
   56    62    69    70   0.08050  1.0 3.0
   56    62    69    73  -0.82050  1.0 1.0
   56    62    69    73   0.00600 -1.0 2.0
   56    62    69    73   0.04400  1.0 3.0
   57    56    62    69   3.00000 -1.0 2.0
   62    69    73    74   0.00000  1.0 1.0
   62    69    73    75   0.39000  1.0 1.0
   62    69    73    75  -0.05800 -1.0 2.0
   62    69    73    75  -0.55150  1.0 3.0
   69    50   -53    56   0.09700  1.0 1.0
   69    50   -53    56   0.15600 -1.0 2.0
   69    50   -53    56  -0.50800  1.0 3.0
   69    50    53    58   0.09850  1.0 1.0
   69    50    53    58   0.15250 -1.0 2.0
   69    50    53    58  -0.50650  1.0 3.0
   69    73    75    76   7.00000 -1.0 2.0
   69    73    75    79   7.00000 -1.0 2.0
   70    69    73    74   0.33100  1.0 3.0
   70    69    73    75   0.00000  1.0 1.0
   73    75    76    77   0.00000  1.0 1.0
   73    75    76    78   0.00000  1.0 1.0
   73    75    76    82   0.09850  1.0 1.0
   73    75    76    82   0.15250 -1.0 2.0
   73    75    76    82  -0.50650  1.0 3.0
   73    75    79    80   0.00000  1.0 1.0
   73    75    79    81   0.00000  1.0 1.0
   73    75    79    85   0.39000  1.0 1.0
   73    75    79    85  -0.05800 -1.0 2.0
   73    75    79    85  -0.55150  1.0 3.0
   74    73    75    76   7.00000 -1.0 2.0
   74    73    75    79   7.00000 -1.0 2.0
   75    76    82    83   0.15000  1.0 3.0
   75    76    82    84   0.15000  1.0 3.0
   75    76    82    40   0.34400  1.0 1.0
   75    76    82    40   0.09450 -1.0 2.0
   75    76    82    40   0.11100  1.0 3.0
   75    79    85    42  -0.77900  1.0 1.0
   75    79    85    42  -0.36900 -1.0 2.0
   75    79    85    42   0.40400  1.0 3.0
   76    75    79    80   0.34800  1.0 3.0
   76    75    79    81   0.34800  1.0 3.0
   76    75    79    85   0.09700  1.0 1.0
   76    75    79    85   0.15600 -1.0 2.0
   76    75    79    85  -0.50800  1.0 3.0
   76    82    40    33   0.56750  1.0 1.0
   76    82    40    33  -0.07550 -1.0 2.0
   76    82    40    33   0.20000  1.0 3.0
   76    82    40    41   0.15000  1.0 3.0
   76    82    40    46   0.86500  1.0 1.0
   76    82    40    46  -0.17500 -1.0 2.0
   76    82    40    46   0.20800  1.0 3.0
   77    76    82    83   0.15000  1.0 3.0
   77    76    82    84   0.15000  1.0 3.0
   77    76    82    40   0.15000  1.0 3.0
   78    76    82    83   0.15000  1.0 3.0
   78    76    82    84   0.15000  1.0 3.0
   78    76    82    40   0.15000  1.0 3.0
   82    40    46    47  -0.11600  1.0 1.0
   82    40    46    47  -0.09450 -1.0 2.0
   82    40    46    47   0.21250  1.0 3.0
   83    82    40    33   0.15000  1.0 3.0
   83    82    40    41   0.15000  1.0 3.0
   83    82    40    46   0.23400  1.0 3.0
   84    82    40    33   0.15000  1.0 3.0
   84    82    40    41   0.15000  1.0 3.0
   84    82    40    46   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44   0.56750  1.0 1.0
   40    33    37    44  -0.07550 -1.0 2.0
   40    33    37    44   0.20000  1.0 3.0
   40    33    42    85   0.62750  1.0 1.0
   40    33    42    85  -0.30950 -1.0 2.0
   40    33    42    85   0.27300  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    48   0.86500  1.0 1.0
   40    33    42    48  -0.17500 -1.0 2.0
   40    33    42    48   0.20800  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   79    75    76    77   0.34800  1.0 3.0
   79    75    76    78   0.34800  1.0 3.0
   79    75    76    82   0.46850  1.0 1.0
   79    75    76    82   0.08550 -1.0 2.0
   79    75    76    82   0.09800  1.0 3.0
   79    85    42    33   0.06250  1.0 1.0
   79    85    42    33  -0.01100 -1.0 2.0
   79    85    42    33   0.28050  1.0 3.0
   79    85    42    43   0.37050  1.0 3.0
   79    85    42    48  -0.70900  1.0 1.0
   79    85    42    48  -1.18000 -1.0 2.0
   79    85    42    48   0.91650  1.0 3.0
   80    79    85    42   0.37050  1.0 3.0
   81    79    85    42   0.37050  1.0 3.0
   85    42    48    49  -0.50000  1.0 1.0
   85    42    48    49  -0.73950 -1.0 2.0
   85    42    48    49   0.17150  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    44   3.97050  1.0 1.0
   42    33    40    82   3.97050  1.0 1.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    46   0.86500  1.0 1.0
   42    33    40    46  -0.17500 -1.0 2.0
   42    33    40    46   0.20800  1.0 3.0
   43    42    48    49   0.19450  1.0 3.0
   58    53    56    57   1.00000 -1.0 2.0
   58    53    56    62  -0.56150  1.0 1.0
   58    53    56    62   2.19150 -1.0 2.0
   52    44    50    51   0.23400  1.0 3.0
   52    44    50    53   0.61850  1.0 1.0
   52    44    50    53  -0.22750 -1.0 2.0
   52    44    50    53   0.15300  1.0 3.0
   52    44    50    69   0.62750  1.0 1.0
   52    44    50    69  -0.30950 -1.0 2.0
   52    44    50    69   0.27300  1.0 3.0
   52    54    61    63  -0.56150  1.0 1.0
   52    54    61    63   2.19150 -1.0 2.0
   52    54    61    66  -0.15000  1.0 1.0
   52    54    61    66   0.89550 -1.0 2.0
   52    54    61    66  -0.06900  1.0 3.0
   54    61    63    64   7.00000 -1.0 2.0
   54    61    63    65   7.00000 -1.0 2.0
   54    61    66    67   0.15000  1.0 3.0
   54    61    66    68   0.15000  1.0 3.0
   54    61    66    71   0.09700  1.0 1.0
   54    61    66    71   0.15600 -1.0 2.0
   54    61    66    71  -0.50800  1.0 3.0
   55    54    61    63   1.00000 -1.0 2.0
   55    54    61    66  -0.64400  1.0 1.0
   55    54    61    66   0.26850 -1.0 2.0
   61    66    71    72  -0.07800  1.0 1.0
   61    66    71    72  -0.21500 -1.0 2.0
   61    66    71    72  -0.03150  1.0 3.0
   63    61    66    67   0.00000  1.0 1.0
   63    61    66    68   0.00000  1.0 1.0
   63    61    66    71   0.67800  1.0 1.0
   63    61    66    71   0.47050 -1.0 2.0
   63    61    66    71  -0.62500  1.0 3.0
   66    61    63    64   7.00000 -1.0 2.0
   66    61    63    65   7.00000 -1.0 2.0
   67    66    71    72   0.19450  1.0 3.0
   68    66    71    72   0.19450  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
   50    56    53    58   1.10000 -1.0 2.0
   53    62    56    57  10.50000 -1.0 2.0
   69    74    73    75   1.10000 -1.0 2.0
   76    79    75    73   1.10000 -1.0 2.0
   59    60    58    53   1.10000 -1.0 2.0
   52    61    54    55  10.50000 -1.0 2.0
   54    66    61    63  15.00000 -1.0 2.0
   64    65    63    61  15.00000 -1.0 2.0
END
