* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    161    244     475
    1     0 S   NP   _N1_     1    28.27932    97.35724   -22.16004
    2     1 S   H    _HN1     2     1.02950    72.90003   -26.31300
    3     1 S   H    _H1_     3     1.02829    37.39091   129.21609
    4     1 S   H    _H2_     4     1.02773   105.32569  -131.21393
    5     1 S   CT   _CA1     5     1.50196   138.22206    75.36808
    6     5 S   HC   _HA1     6     1.09571   105.17467    91.04841
    7     5 S   CO3  _C1_     7     1.53790   112.06778   -29.12105
    8     7 S   O2Z  _O11     8     1.26392   114.98197   -47.46748
    9     7 S   O2Z  _O12     9     1.26199   114.94122   131.11566
   10     5 S   CT   _CB1    10     1.53051   107.34782  -151.04984
   11    10 S   HC   HB11    11     1.09841   109.44100   -48.64827
   12    10 S   HC   HB12    12     1.09809   110.43645    67.91665
   13    10 S   CT   _CG1    13     1.53054   112.68285  -169.54236
   14    13 S   HC   HG11    14     1.09579   110.68835   -64.78328
   15    13 S   HC   HG12    15     1.09656   109.81205    54.47471
   16    13 S   C    _CD1    16     1.51855   111.87135   175.01744
   17    16 S   O    _OE1    17     1.22819   123.18554    10.48177
   18    16 S   N    _N2_    18     1.38427   112.06010  -169.87082
   19    18 S   H    _HN2    19     1.01834   119.47795    -0.98992
   20    18 S   CT1  _CA2    20     1.45819   122.74528  -179.72589
   21    20 S   HC   _HA2    21     1.09741   108.42090    35.51844
   22    20 S   C    _C2_    22     1.53035   107.67878   -81.87943
   23    22 S   O    _O2_    23     1.22964   123.24519   -26.10808
   24    20 S   CT   _CB2    32     1.53243   112.09122   158.50988
   25    24 S   HC   HB21    33     1.09375   109.51670    59.40290
   26    24 S   HC   HB22    34     1.09535   110.38165   177.18882
   27    22 S   N    _N3_    24     1.38558   112.44135   156.54216
   28    27 S   H    _HN3    25     1.01643   120.31212    -2.26304
   29    24 S   S    _SG2    35     1.82943   111.02056   -63.54542
   30    27 S   CT   _CA3    26     1.45337   122.48690   178.60142
   31    30 S   HC   HA31    27     1.09567   107.83264   -55.25272
   32    30 S   HC   HA32    28     1.09561   107.59280    61.08305
   33    29 S   CT   _C9_    36     1.91819   101.69591   145.23891
   34    30 S   CO3  _C3_    29     1.52885   114.32629  -177.18019
   35    34 S   O2Z  _O31    30     1.26339   116.08122    -0.18557
   36    34 S   O2Z  _O32    31     1.26441   114.40828   179.78150
   37    33 S   CT   _C8_    37     1.58354   102.86905    62.60994
   38    37 S   HC   _H13    38     1.10038   108.15445    47.38748
   39    37 S   HC   _H14    39     1.09786   109.42887   -67.16330
   40    33 S   CT   _C10    59     1.61682   113.08948   -58.90394
   41    40 S   OM   _O38    60     1.32709   111.77965   -30.93363
   42    40 S   HC   _H3_    61     1.09908   102.50991    94.66104
   43    33 S   CT   _C23    84     1.55421   103.88163   176.21297
   44    43 S   HC   _H26    85     1.09721   111.07818   -54.21648
   45    43 S   HC   _H27    86     1.09336   111.47171  -172.49206
   46    37 S   CT   _C7_    40     1.54297   120.65313   167.95109
   47    46 S   HC   _H11    41     1.09333   109.09732   -56.22061
   48    46 S   HC   _H12    42     1.09735   107.79382  -171.48680
   49    43 S   OH   _O39    87     1.42206   112.48000    66.85100
   50    49 S   HO   _H28    88     0.97142   107.31474   176.52374
   51    46 S   CM   _C6_    43     1.49944   113.41418    69.90029
   52    51 S   HC   _H10    44     1.08889   115.19969    38.04156
   53    51 S   CM   _C5_    45     1.34707   125.99043  -133.52176
   54    53 S   CT   _C14    46     1.51456   119.52153   163.63546
   55    54 S   HC   _H15    47     1.09795   110.01820    28.16853
   56    54 S   HC   _H16    48     1.09695   108.35568   143.17191
   57    53 S   CT   _C4_    80     1.50448   123.89866   -12.02964
   58    57 S   HC   _H7_    81     1.09327   111.03626    97.42794
   59    57 S   HC   _H8_    82     1.09415   112.22816   -23.88365
   60    57 S   HC   _H9_    83     1.09521   110.41002  -142.22045
   61    54 S   CT   _C13    49     1.55359   114.41784   -94.05611
   62    61 S   HC   _H6_    50     1.09930   106.80981  -179.22545
   63    61 S   CT   _C12    51     1.55769   114.22147    62.27756
   64    63 S   HC   _H5_    52     1.09650   108.10739    49.69734
   65    61 S   OS   _O33    65     1.44552   110.28715   -61.49217
   66    63 S   CM   _C20    53     1.49429   110.76745   170.93282
   67    65 S   CO4  _C15    66     1.35886   118.09409   -81.40129
   68    67 S   O    _O34    67     1.22211   126.09273     0.40926
   69    66 S   CO4  _C22    54     1.47481   109.61879   102.14363
   70    69 S   O    _O36    55     1.21802   126.84689  -168.42655
   71    66 S   CM   _C21    62     1.33577   128.18868   -79.86654
   72    71 S   HC   _H24    63     1.08473   120.75240     1.00015
   73    71 S   HC   _H25    64     1.08497   121.66750  -178.75353
   74    67 S   CM   _C16    68     1.49521   109.14798   179.85463
   75    69 S   OS   _O37    56     1.36166   107.20663     9.95052
   76    74 S   CM   _C17    69     1.34642   115.86816  -160.71922
   77    76 S   HC   _H17    70     1.08970   119.13383     0.64952
   78    74 S   CT   _C19    76     1.50028   117.98894    20.41866
   79    78 S   HC   _H21    77     1.09496   110.47550   -70.91270
   80    78 S   HC   _H22    78     1.09205   113.25562   168.20849
   81    78 S   HC   _H23    79     1.09537   110.30771    49.07677
   82    63 S   CT   _C11    57     1.54461   115.68894   -76.23516
   83    82 S   HC   _H4_    58     1.08482   109.88105    16.23333
   84    76 S   CT   _C18    71     1.49560   127.56686   179.31472
   85    84 S   HC   _H18    72     1.09125   113.86259    -1.16264
   86    84 S   HC   _H19    73     1.09482   109.37523  -122.27467
   87    84 S   OH   _O35    74     1.42082   108.39802   119.68271
   88    87 S   HO   _H20    75     0.97229   107.04341   177.90492
  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
  19   2   1   1  16   7   6  15   6   5   6   3   2   7   4   3
   1   1  10   3  11  14   6   5   4   2   1   1  13   6  12   7
   7   8   9   3   7   3   4   1   1  10   2  10   5   4   2   1
   1   1   1   4   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    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    82    40    41    42    43    44    45    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    48    51    63    75    82    83    40    41    42    43    44    45    49    50  
   35    36  
   36  
    0  
   38    39    46    47    48    51    52    53    82    40    41    42    43    44    45    49  
   39    46    47    48    51    40    43  
   46    47    48    51    40    43  
   41    42    43    44    45    49    46    61    63    64    66    69    75    82    83  
   42    43    63    75    82    83  
   43    63    75    82    83  
   44    45    49    50    46    82  
   45    49    50  
   49    50  
   47    48    51    52    53    54    57  
   48    51    52    53  
   51    52    53  
   50  
    0  
   52    53    54    55    56    61    57    58    59    60  
   53    54    57  
   54    55    56    61    62    63    65    57    58    59    60  
   55    56    61    62    63    64    66    82    65    67    57    58    59    60  
   56    61    62    63    65    57  
   61    62    63    65    57  
   58    59    60    61  
   59    60  
   60  
    0  
   62    63    64    66    69    75    82    83    71    65    67    68    74  
   63    64    66    82    65    67  
   64    66    69    70    75    82    83    71    72    73    65    67  
   66    69    75    82    83    71    65  
   67    68    74    76    78    66    82  
   69    70    75    82    83    71    72    73  
   68    74    76    77    84    78    79    80    81  
   74    76    78  
   70    75    82    83    71    72    73  
   75    82    71  
   72    73    75    82  
   73  
    0  
   76    77    84    85    86    87    78    79    80    81  
   82    83  
   77    84    85    86    87    88    78    79    80    81  
   84    85    86    87    78  
   79    80    81    84  
   80    81  
   81  
    0  
   83  
    0  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   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    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    43   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   317.000  1.510
   51    52   340.000  1.080
   51    53   549.000  1.340
   53    54   317.000  1.510
   53    57   317.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    65   320.000  1.410
   63    64   340.000  1.090
   63    66   317.000  1.510
   63    82   268.000  1.529
   66    69   320.000  1.462
   66    71   549.000  1.340
   69    70   570.000  1.229
   69    75   214.000  1.327
   75    82   320.000  1.410
   82    83   340.000  1.090
   82    40   268.000  1.529
   40    41   570.000  1.307
   40    42   340.000  1.090
   71    72   340.000  1.080
   71    73   340.000  1.080
   65    67   214.000  1.327
   67    68   570.000  1.229
   67    74   320.000  1.462
   74    76   549.000  1.340
   74    78   317.000  1.510
   76    77   340.000  1.080
   76    84   317.000  1.510
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   320.000  1.410
   87    88   553.000  0.945
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   320.000  1.410
   49    50   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    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    40    82    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    49    50.00000  109.50000
   37    46    47    37.50000  110.70000
   37    46    48    37.50000  110.70000
   37    46    51    70.00000  112.02700
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    51    52    35.00000  117.00000
   46    51    53    70.00000  124.00000
   48    46    47    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    48    35.00000  109.50000
   51    53    54    70.00000  124.00000
   51    53    57    70.00000  124.00000
   53    51    52    35.00000  120.00000
   53    54    55    35.00000  109.50000
   53    54    56    35.00000  109.50000
   53    54    61    70.00000  112.02700
   53    57    58    35.00000  109.50000
   53    57    59    35.00000  109.50000
   53    57    60    35.00000  109.50000
   54    61    62    37.50000  110.70000
   54    61    63    58.35000  112.70000
   54    61    65    50.00000  109.50000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    66    70.00000  112.02700
   61    63    82    58.35000  112.70000
   61    65    67    83.00000  116.90000
   63    61    62    37.50000  110.70000
   63    66    69    65.00000  116.34900
   63    66    71    70.00000  124.00000
   63    82    75    50.00000  109.50000
   63    82    83    37.50000  110.70000
   63    82    40    58.35000  112.70000
   66    63    64    35.00000  109.50000
   66    69    70    80.00000  123.72100
   66    69    75    90.00000  111.29400
   66    71    72    35.00000  120.00000
   66    71    73    35.00000  120.00000
   69    75    82    83.00000  116.90000
   75    69    70    83.00000  123.40000
   75    82    83    35.00000  109.50000
   75    82    40    50.00000  109.50000
   82    63    64    37.50000  110.70000
   82    63    66    70.00000  112.02700
   82    40    41    50.00000  109.50000
   82    40    42    37.50000  110.70000
   40    33    37    58.35000  112.70000
   40    82    83    37.50000  110.70000
   42    40    41    45.00000  125.66300
   71    66    69    65.00000  118.96000
   73    71    72    35.00000  117.00000
   65    61    62    35.00000  109.50000
   65    61    63    50.00000  109.50000
   65    67    68    83.00000  123.40000
   65    67    74    90.00000  111.29400
   67    74    76    65.00000  118.96000
   67    74    78    65.00000  116.34900
   74    67    68    80.00000  123.72100
   74    76    77    35.00000  120.00000
   74    76    84    70.00000  124.00000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   76    84    85    35.00000  109.50000
   76    84    86    35.00000  109.50000
   76    84    87    90.00000  110.39200
   84    76    77    35.00000  117.00000
   84    87    88    55.00000  108.50000
   86    84    85    33.00000  107.80000
   87    84    85    35.00000  109.50000
   87    84    86    35.00000  109.50000
   78    74    76    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   57    53    54    65.00000  117.92700
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    40    58.35000  112.70000
   43    49    50    55.00000  108.50000
   45    43    44    33.00000  107.80000
   49    43    44    35.00000  109.50000
   49    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    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    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   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   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    49   0.56750  1.0 1.0
   29    33    43    49  -0.07550 -1.0 2.0
   29    33    43    49   0.20000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    48   0.15000  1.0 3.0
   33    37    46    51   0.34400  1.0 1.0
   33    37    46    51   0.09450 -1.0 2.0
   33    37    46    51   0.11100  1.0 3.0
   33    43    49    50  -0.11600  1.0 1.0
   33    43    49    50  -0.09450 -1.0 2.0
   33    43    49    50   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   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    49   0.86500  1.0 1.0
   37    33    43    49  -0.17500 -1.0 2.0
   37    33    43    49   0.20800  1.0 3.0
   37    46    51    52   0.00000  1.0 1.0
   37    46    51    53   0.09850  1.0 1.0
   37    46    51    53   0.15250 -1.0 2.0
   37    46    51    53  -0.50650  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    48   0.15000  1.0 3.0
   38    37    46    51   0.15000  1.0 3.0
   39    37    46    47   0.15000  1.0 3.0
   39    37    46    48   0.15000  1.0 3.0
   39    37    46    51   0.15000  1.0 3.0
   46    51    53    54   7.00000 -1.0 2.0
   46    51    53    57   7.00000 -1.0 2.0
   47    46    51    52   0.33100  1.0 3.0
   47    46    51    53   0.00000  1.0 1.0
   48    46    51    52   0.33100  1.0 3.0
   48    46    51    53   0.00000  1.0 1.0
   51    53    54    55   0.00000  1.0 1.0
   51    53    54    56   0.00000  1.0 1.0
   51    53    54    61   0.09850  1.0 1.0
   51    53    54    61   0.15250 -1.0 2.0
   51    53    54    61  -0.50650  1.0 3.0
   51    53    57    58   0.00000  1.0 1.0
   51    53    57    59   0.00000  1.0 1.0
   51    53    57    60   0.00000  1.0 1.0
   52    51    53    54   7.00000 -1.0 2.0
   52    51    53    57   7.00000 -1.0 2.0
   53    54    61    62   0.15000  1.0 3.0
   53    54    61    63   0.34400  1.0 1.0
   53    54    61    63   0.09450 -1.0 2.0
   53    54    61    63   0.11100  1.0 3.0
   53    54    61    65   0.61850  1.0 1.0
   53    54    61    65  -0.22750 -1.0 2.0
   53    54    61    65   0.15300  1.0 3.0
   54    53    57    58   0.34800  1.0 3.0
   54    53    57    59   0.34800  1.0 3.0
   54    53    57    60   0.34800  1.0 3.0
   54    61    63    64   0.15000  1.0 3.0
   54    61    63    66   0.34400  1.0 1.0
   54    61    63    66   0.09450 -1.0 2.0
   54    61    63    66   0.11100  1.0 3.0
   54    61    63    82   0.56750  1.0 1.0
   54    61    63    82  -0.07550 -1.0 2.0
   54    61    63    82   0.20000  1.0 3.0
   54    61    65    67  -0.25900  1.0 1.0
   54    61    65    67  -0.47000 -1.0 2.0
   54    61    65    67   0.11750  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    65   0.23400  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    63   0.15000  1.0 3.0
   56    54    61    65   0.23400  1.0 3.0
   61    63    66    69   0.09700  1.0 1.0
   61    63    66    69   0.15600 -1.0 2.0
   61    63    66    69  -0.50800  1.0 3.0
   61    63    66    71   0.09850  1.0 1.0
   61    63    66    71   0.15250 -1.0 2.0
   61    63    66    71  -0.50650  1.0 3.0
   61    63    82    75   0.62750  1.0 1.0
   61    63    82    75  -0.30950 -1.0 2.0
   61    63    82    75   0.27300  1.0 3.0
   61    63    82    83   0.15000  1.0 3.0
   61    63    82    40   0.56750  1.0 1.0
   61    63    82    40  -0.07550 -1.0 2.0
   61    63    82    40   0.20000  1.0 3.0
   61    65    67    68   3.00000 -1.0 2.0
   61    65    67    74   2.00000 -1.0 2.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    66   0.15000  1.0 3.0
   62    61    63    82   0.15000  1.0 3.0
   62    61    65    67   0.08050  1.0 3.0
   63    61    65    67  -0.25900  1.0 1.0
   63    61    65    67  -0.47000 -1.0 2.0
   63    61    65    67   0.11750  1.0 3.0
   63    66    69    70  -0.64400  1.0 1.0
   63    66    69    70   0.26850 -1.0 2.0
   63    66   -69    75  -0.15000  1.0 1.0
   63    66   -69    75   0.89550 -1.0 2.0
   63    66   -69    75  -0.06900  1.0 3.0
   63    66    71    72   7.00000 -1.0 2.0
   63    66    71    73   7.00000 -1.0 2.0
   63    82    40    33   0.56750  1.0 1.0
   63    82    40    33  -0.07550 -1.0 2.0
   63    82    40    33   0.20000  1.0 3.0
   63    82    40    41   0.62750  1.0 1.0
   63    82    40    41  -0.30950 -1.0 2.0
   63    82    40    41   0.27300  1.0 3.0
   63    82    40    42   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   64    63    66    71   0.00000  1.0 1.0
   64    63    82    75   0.23400  1.0 3.0
   64    63    82    83   0.15000  1.0 3.0
   64    63    82    40   0.15000  1.0 3.0
   66    63   -82    75   0.61850  1.0 1.0
   66    63   -82    75  -0.22750 -1.0 2.0
   66    63   -82    75   0.15300  1.0 3.0
   66    63    82    83   0.15000  1.0 3.0
   66    63    82    40   0.34400  1.0 1.0
   66    63    82    40   0.09450 -1.0 2.0
   66    63    82    40   0.11100  1.0 3.0
   66    69   -75    82   2.00000 -1.0 2.0
   69    66    71    72   7.00000 -1.0 2.0
   69    66    71    73   7.00000 -1.0 2.0
   69    75   -82    63  -0.25900  1.0 1.0
   69    75   -82    63  -0.47000 -1.0 2.0
   69    75   -82    63   0.11750  1.0 3.0
   69    75    82    83   0.08050  1.0 3.0
   69    75    82    40  -0.25900  1.0 1.0
   69    75    82    40  -0.47000 -1.0 2.0
   69    75    82    40   0.11750  1.0 3.0
   70    69    75    82   3.00000 -1.0 2.0
   75    82    40    33   0.62750  1.0 1.0
   75    82    40    33  -0.30950 -1.0 2.0
   75    82    40    33   0.27300  1.0 3.0
   75    82    40    41   1.11900  1.0 1.0
   75    82    40    41  -1.16350 -1.0 2.0
   75    82    40    41  -0.34150  1.0 3.0
   75    82    40    42   0.23400  1.0 3.0
   82    63   -66    69   0.09700  1.0 1.0
   82    63   -66    69   0.15600 -1.0 2.0
   82    63   -66    69  -0.50800  1.0 3.0
   82    63    66    71   0.09850  1.0 1.0
   82    63    66    71   0.15250 -1.0 2.0
   82    63    66    71  -0.50650  1.0 3.0
   83    82    40    33   0.15000  1.0 3.0
   83    82    40    41   0.23400  1.0 3.0
   83    82    40    42   0.15000  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    46   0.56750  1.0 1.0
   40    33    37    46  -0.07550 -1.0 2.0
   40    33    37    46   0.20000  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    45   0.15000  1.0 3.0
   40    33    43    49   0.86500  1.0 1.0
   40    33    43    49  -0.17500 -1.0 2.0
   40    33    43    49   0.20800  1.0 3.0
   71    66    69    70   1.00000 -1.0 2.0
   71    66    69    75  -0.56150  1.0 1.0
   71    66    69    75   2.19150 -1.0 2.0
   65    61    63    64   0.23400  1.0 3.0
   65    61    63    66   0.61850  1.0 1.0
   65    61    63    66  -0.22750 -1.0 2.0
   65    61    63    66   0.15300  1.0 3.0
   65    61    63    82   0.62750  1.0 1.0
   65    61    63    82  -0.30950 -1.0 2.0
   65    61    63    82   0.27300  1.0 3.0
   65    67    74    76  -0.56150  1.0 1.0
   65    67    74    76   2.19150 -1.0 2.0
   65    67    74    78  -0.15000  1.0 1.0
   65    67    74    78   0.89550 -1.0 2.0
   65    67    74    78  -0.06900  1.0 3.0
   67    74    76    77   7.00000 -1.0 2.0
   67    74    76    84   7.00000 -1.0 2.0
   67    74    78    79   0.15000  1.0 3.0
   67    74    78    80   0.15000  1.0 3.0
   67    74    78    81   0.15000  1.0 3.0
   68    67    74    76   1.00000 -1.0 2.0
   68    67    74    78  -0.64400  1.0 1.0
   68    67    74    78   0.26850 -1.0 2.0
   74    76    84    85   0.00000  1.0 1.0
   74    76    84    86   0.00000  1.0 1.0
   74    76    84    87   0.67800  1.0 1.0
   74    76    84    87   0.47050 -1.0 2.0
   74    76    84    87  -0.62500  1.0 3.0
   76    74    78    79   0.00000  1.0 1.0
   76    74    78    80   0.00000  1.0 1.0
   76    74    78    81   0.00000  1.0 1.0
   76    84    87    88  -0.07800  1.0 1.0
   76    84    87    88  -0.21500 -1.0 2.0
   76    84    87    88  -0.03150  1.0 3.0
   77    76    84    85   0.33100  1.0 3.0
   77    76    84    86   0.33100  1.0 3.0
   77    76    84    87   0.00000  1.0 1.0
   85    84    87    88   0.19450  1.0 3.0
   86    84    87    88   0.19450  1.0 3.0
   78    74    76    77   7.00000 -1.0 2.0
   78    74    76    84   7.00000 -1.0 2.0
   57    53    54    55   0.34800  1.0 3.0
   57    53    54    56   0.34800  1.0 3.0
   57    53    54    61   0.46850  1.0 1.0
   57    53    54    61   0.08550 -1.0 2.0
   57    53    54    61   0.09800  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    46   0.56750  1.0 1.0
   43    33    37    46  -0.07550 -1.0 2.0
   43    33    37    46   0.20000  1.0 3.0
   43    33    40    82   0.56750  1.0 1.0
   43    33    40    82  -0.07550 -1.0 2.0
   43    33    40    82   0.20000  1.0 3.0
   43    33    40    41   0.62750  1.0 1.0
   43    33    40    41  -0.30950 -1.0 2.0
   43    33    40    41   0.27300  1.0 3.0
   43    33    40    42   0.15000  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   45    43    49    50   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
   46    52    51    53   1.10000 -1.0 2.0
   54    57    53    51   1.10000 -1.0 2.0
   63    69    66    71   1.10000 -1.0 2.0
   66    75    69    70  10.50000 -1.0 2.0
   72    73    71    66   1.10000 -1.0 2.0
   65    74    67    68  10.50000 -1.0 2.0
   67    78    74    76  15.00000 -1.0 2.0
   84    77    76    74  15.00000 -1.0 2.0
END
