* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    159    248     469
    1     0 S   NP   _N1_     1    29.46299   101.29120   -18.20739
    2     1 S   H    _HN1     2     1.02954    46.77871     5.75578
    3     1 S   H    _H1_     3     1.02831    72.66613   141.23389
    4     1 S   H    _H2_     4     1.02772    89.97412  -109.93526
    5     1 S   CT   _CA1     5     1.50163   153.86087    39.44170
    6     5 S   HC   _HA1     6     1.09571   105.14523   151.78664
    7     5 S   CO3  _C1_     7     1.53708   112.57719    31.71728
    8     7 S   O2Z  _O11     8     1.26383   114.96488   -37.25144
    9     7 S   O2Z  _O12     9     1.26244   115.01205   141.95555
   10     5 S   CT   _CB1    10     1.53097   107.41300   -90.21076
   11    10 S   HC   HB11    11     1.09829   109.18660   -49.32788
   12    10 S   HC   HB12    12     1.09816   110.45514    67.22262
   13    10 S   CT   _CG1    13     1.53030   112.78368  -170.38565
   14    13 S   HC   HG11    14     1.09546   110.57886   -68.76747
   15    13 S   HC   HG12    15     1.09669   109.81186    50.43730
   16    13 S   C    _CD1    16     1.51851   112.25131   170.76326
   17    16 S   O    _OE1    17     1.22754   123.26572     7.28249
   18    16 S   N    _N2_    18     1.38492   111.74532  -172.76614
   19    18 S   H    _HN2    19     1.01585   119.05357     2.35726
   20    18 S   CT1  _CA2    20     1.45961   122.97557   176.30128
   21    20 S   HC   _HA2    21     1.09722   108.96778    26.32486
   22    20 S   C    _C2_    22     1.52917   106.83058   -90.81643
   23    22 S   O    _O2_    23     1.22997   123.00707   -28.34456
   24    20 S   CT   _CB2    32     1.53204   111.87118   149.78364
   25    24 S   HC   HB21    33     1.09249   109.22612    54.27237
   26    24 S   HC   HB22    34     1.09501   110.44376   172.53676
   27    22 S   N    _N3_    24     1.38496   112.63317   154.27870
   28    27 S   H    _HN3    25     1.01660   120.36985    -1.51465
   29    24 S   S    _SG2    35     1.82617   110.24153   -68.17424
   30    27 S   CT   _CA3    26     1.45351   122.38555   178.72497
   31    30 S   HC   HA31    27     1.09573   107.61264   -59.73730
   32    30 S   HC   HA32    28     1.09573   107.76882    56.54736
   33    29 S   CT   _C11    36     1.88368   102.90180   151.33476
   34    30 S   CO3  _C3_    29     1.52878   114.44240   178.44003
   35    34 S   O2Z  _O31    30     1.26320   116.11648    -1.35075
   36    34 S   O2Z  _O32    31     1.26456   114.38743   178.69254
   37    33 S   CT   _C10    37     1.54995   109.21449   -62.76610
   38    37 S   HC   _H4_    38     1.09370   113.19363    72.34620
   39    33 S   CT   _C22    80     1.60554   107.87154    55.79192
   40    39 S   OM   _O37    81     1.32552   110.98624    60.75589
   41    39 S   HC   _H25    82     1.10250   105.23590   -66.35211
   42    39 S   HC   _H26    83     1.09572   107.86923  -170.18602
   43    37 S   CT   _C9_    39     1.53902   105.47761  -168.57075
   44    43 S   HC   _H11    40     1.09451   111.59061   148.73881
   45    43 S   HC   _H12    41     1.09568   110.35638   -91.88413
   46    37 S   OS   _O36    56     1.43164   110.18225   -47.04429
   47    43 S   CT   _C8_    42     1.54101   105.21905    27.94884
   48    47 S   HC   _H3_    43     1.08890   110.78901   127.65695
   49    33 S   CT   _C12    44     1.62263   116.43113  -169.92272
   50    47 S   OS   _O34    69     1.44316   110.59251  -114.72522
   51    49 S   CT   _C13    45     1.63192   112.93712    50.54135
   52    49 S   CT   _C21    65     1.54006   113.43149   -76.06407
   53    52 S   HC   _H22    66     1.09444   111.46316    59.13228
   54    52 S   HC   _H23    67     1.09276   112.93282   -61.71307
   55    52 S   HC   _H24    68     1.09322   111.76638   179.74283
   56    50 S   CO4  _C7_    70     1.36015   117.50369   -77.41238
   57    56 S   O    _O33    71     1.21887   126.63482    -0.36957
   58    51 S   CT   _C14    46     1.55573   112.58826   -80.54053
   59    58 S   HC   _H13    47     1.08362   114.49615    41.35159
   60    58 S   HC   _H14    48     1.09901   109.13565   -76.12453
   61    51 S   CT   _C20    61     1.57497   112.13802   164.17485
   62    61 S   HC   _H19    62     1.09335   113.18551   -70.93145
   63    61 S   HC   _H20    63     1.09662   111.47196   170.89774
   64    61 S   HC   _H21    64     1.09327   112.15550    51.37482
   65    56 S   CM   _C6_    72     1.48115   107.00706   179.93147
   66    65 S   HC   _H10    73     1.08776   115.99943     9.37844
   67    58 S   CO4  _C15    49     1.51429   115.39195   164.02208
   68    67 S   O    _O35    50     1.23167   120.42515   153.68567
   69    65 S   CM   _C5_    74     1.34049   125.72271  -171.25288
   70    69 S   HC   _H9_    75     1.08949   116.45015  -178.76362
   71    67 S   CM   _C16    51     1.48510   119.31276   -29.47445
   72    69 S   CT   _C4_    76     1.49326   129.31611     2.12560
   73    72 S   HC   _H6_    77     1.09415   109.90841  -109.72762
   74    72 S   HC   _H7_    78     1.09513   109.30281   131.94044
   75    72 S   HC   _H8_    79     1.09072   113.90850    12.41208
   76    71 S   CM   _C17    52     1.33871   119.38511     8.32147
   77    76 S   HC   _H15    53     1.08936   118.23425  -179.10234
   78    71 S   CT   _C19    57     1.49635   117.49532  -172.02277
   79    78 S   HC   _H16    58     1.09496   110.63687   -55.58857
   80    78 S   HC   _H17    59     1.09425   111.78907  -175.05898
   81    78 S   HC   _H18    60     1.09481   110.41653    64.71407
   82    51 S   CT   _C18    54     1.56148   109.89900    46.41180
   83    82 S   HC   _H5_    55     1.09754   108.39353    87.76467
  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
  22   2   1   1  18   8   9   3   2   1  11   6   5  10  14   5
  18   7  18   6   2   1   1   6   3  13   6   5   7   3   2   1
   7   3   9   3   5   4   8   3   2   1   1   7   3   4   2   1
   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    47    49    51    46    52    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    47    48    49    51    58    82    46    61    52    53    54    55    50    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    47    48    49    51    76    82    83    46    52    50    39    40    41    42  
   43    44    45    47    49    82    46    39  
   40    41    42    43    46    47    49    51    52  
   41    42    49  
   42    49  
   49  
   44    45    47    48    49    51    82    46    52    50    56  
   45    47    48    49    46    50  
   47    48    49    46    50  
   61    47    49    51    58    71    76    77    82    83  
   48    49    51    58    82    61    52    53    54    55    50    56    57    65  
   49    51    52    50    56  
   51    58    59    60    67    76    82    83    61    62    63    64    52    53    54    55    50    56  
   56    57    65    66    69    51    52  
   58    59    60    67    68    71    76    77    82    83    61    62    63    64    52    53    54    55  
   53    54    55    58    61    82  
   54    55  
   55  
    0  
   57    65    66    69    70    72  
   65    66    69  
   59    60    67    68    71    76    82    83    78    61    62    63    64  
   60    67    68    71    82    61  
   67    68    71    82    61  
   62    63    64    67    76    82    83  
   63    64    82  
   64    82  
   82  
   66    69    70    72    73    74    75  
   69    70    72  
   68    71    76    77    82    78    79    80    81  
   71    76    78  
   70    72    73    74    75  
   72    73    74    75  
   76    77    82    83    78    79    80    81  
   73    74    75  
   74    75  
   75  
    0  
   77    82    83    78    79    80    81  
   82    83    78  
   79    80    81    82  
   80    81  
   81  
    0  
   83  
    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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   39   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760  -0.184000   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   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.030000   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   268.000  1.529
   33    49   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    50   320.000  1.410
   49    51   268.000  1.529
   49    52   268.000  1.529
   51    58   268.000  1.529
   51    82   268.000  1.529
   51    61   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    67   317.000  1.522
   67    68   570.000  1.229
   67    71   320.000  1.462
   71    76   549.000  1.340
   71    78   317.000  1.510
   76    77   340.000  1.080
   76    82   317.000  1.510
   82    83   340.000  1.090
   82    46   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   50    56   214.000  1.327
   56    57   570.000  1.229
   56    65   320.000  1.462
   65    66   340.000  1.080
   65    69   549.000  1.340
   69    70   340.000  1.080
   69    72   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   39    40   570.000  1.307
   39    41   340.000  1.090
   39    42   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  111.63000
   29    33    49    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    46    50.00000  109.50000
   33    49    47    58.35000  112.70000
   33    49    51    58.35000  112.70000
   33    49    52    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    45    37.50000  110.70000
   37    43    47    58.35000  112.70000
   37    46    82    60.00000  109.50000
   43    37    38    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    58.35000  112.70000
   43    47    50    50.00000  109.50000
   45    43    44    33.00000  107.80000
   47    43    44    37.50000  110.70000
   47    43    45    37.50000  110.70000
   47    49    51    58.35000  112.70000
   47    49    52    58.35000  112.70000
   47    50    56    83.00000  116.90000
   49    33    37    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    51    58    58.35000  112.70000
   49    51    82    58.35000  112.70000
   49    51    61    58.35000  112.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    67    63.00000  111.10000
   51    82    76    70.00000  112.02700
   51    82    83    37.50000  110.70000
   51    82    46    50.00000  109.50000
   51    61    62    37.50000  110.70000
   51    61    63    37.50000  110.70000
   51    61    64    37.50000  110.70000
   58    67    68    80.00000  120.40000
   58    67    71    65.00000  118.62400
   60    58    59    33.00000  107.80000
   67    58    59    35.00000  109.50000
   67    58    60    35.00000  109.50000
   67    71    76    65.00000  118.96000
   67    71    78    65.00000  116.34900
   71    67    68    80.00000  123.72100
   71    76    77    35.00000  120.00000
   71    76    82    70.00000  124.00000
   71    78    79    35.00000  109.50000
   71    78    80    35.00000  109.50000
   71    78    81    35.00000  109.50000
   76    82    83    35.00000  109.50000
   76    82    46    85.00000  110.90400
   82    51    58    58.35000  112.70000
   82    76    77    35.00000  117.00000
   46    37    38    35.00000  109.50000
   46    37    43    50.00000  109.50000
   46    82    83    35.00000  109.50000
   78    71    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
   61    51    58    58.35000  112.70000
   61    51    82    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   52    49    51    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   50    47    48    35.00000  109.50000
   50    47    49    50.00000  109.50000
   50    56    57    83.00000  123.40000
   50    56    65    90.00000  111.29400
   56    65    66    40.00000  117.72500
   56    65    69    65.00000  118.96000
   65    56    57    80.00000  123.72100
   65    69    70    35.00000  120.00000
   65    69    72    70.00000  124.00000
   69    65    66    35.00000  120.00000
   69    72    73    35.00000  109.50000
   69    72    74    35.00000  109.50000
   69    72    75    35.00000  109.50000
   72    69    70    35.00000  117.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    49    58.35000  112.70000
   41    39    40    45.00000  125.66300
   42    39    40    45.00000  125.66300
   42    39    41    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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.15000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    46   0.56750  1.0 1.0
   29    33    37    46  -0.07550 -1.0 2.0
   29    33    37    46   0.20000  1.0 3.0
   29    33    49    47   0.44750  1.0 1.0
   29    33    49    47  -0.17800 -1.0 2.0
   29    33    49    47   0.20200  1.0 3.0
   29    33    49    51   0.44750  1.0 1.0
   29    33    49    51  -0.17800 -1.0 2.0
   29    33    49    51   0.20200  1.0 3.0
   29    33    49    52   0.44750  1.0 1.0
   29    33    49    52  -0.17800 -1.0 2.0
   29    33    49    52   0.20200  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    45   0.15000  1.0 3.0
   33    37   -43    47   0.56750  1.0 1.0
   33    37   -43    47  -0.07550 -1.0 2.0
   33    37   -43    47   0.20000  1.0 3.0
   33    37    46    82   0.06250  1.0 1.0
   33    37    46    82  -0.01100 -1.0 2.0
   33    37    46    82   0.28050  1.0 3.0
   33    49    51    58   0.56750  1.0 1.0
   33    49    51    58  -0.07550 -1.0 2.0
   33    49    51    58   0.20000  1.0 3.0
   33    49   -51    82   0.56750  1.0 1.0
   33    49   -51    82  -0.07550 -1.0 2.0
   33    49   -51    82   0.20000  1.0 3.0
   33    49    51    61   0.56750  1.0 1.0
   33    49    51    61  -0.07550 -1.0 2.0
   33    49    51    61   0.20000  1.0 3.0
   33    49    52    53   0.15000  1.0 3.0
   33    49    52    54   0.15000  1.0 3.0
   33    49    52    55   0.15000  1.0 3.0
   37    33   -49    47   0.56750  1.0 1.0
   37    33   -49    47  -0.07550 -1.0 2.0
   37    33   -49    47   0.20000  1.0 3.0
   37    33    49    51   0.56750  1.0 1.0
   37    33    49    51  -0.07550 -1.0 2.0
   37    33    49    51   0.20000  1.0 3.0
   37    33    49    52   0.56750  1.0 1.0
   37    33    49    52  -0.07550 -1.0 2.0
   37    33    49    52   0.20000  1.0 3.0
   37    33    39    40   0.62750  1.0 1.0
   37    33    39    40  -0.30950 -1.0 2.0
   37    33    39    40   0.27300  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    47    48   0.15000  1.0 3.0
   37    43   -47    49   0.56750  1.0 1.0
   37    43   -47    49  -0.07550 -1.0 2.0
   37    43   -47    49   0.20000  1.0 3.0
   37    43    47    50   0.62750  1.0 1.0
   37    43    47    50  -0.30950 -1.0 2.0
   37    43    47    50   0.27300  1.0 3.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    45   0.15000  1.0 3.0
   38    37    43    47   0.15000  1.0 3.0
   38    37    46    82   0.37050  1.0 3.0
   43    37    46    82   0.06250  1.0 1.0
   43    37    46    82  -0.01100 -1.0 2.0
   43    37    46    82   0.28050  1.0 3.0
   43    47   -49    33   0.56750  1.0 1.0
   43    47   -49    33  -0.07550 -1.0 2.0
   43    47   -49    33   0.20000  1.0 3.0
   43    47    49    51   0.56750  1.0 1.0
   43    47    49    51  -0.07550 -1.0 2.0
   43    47    49    51   0.20000  1.0 3.0
   43    47    49    52   0.56750  1.0 1.0
   43    47    49    52  -0.07550 -1.0 2.0
   43    47    49    52   0.20000  1.0 3.0
   43    47    50    56  -0.25900  1.0 1.0
   43    47    50    56  -0.47000 -1.0 2.0
   43    47    50    56   0.11750  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    50   0.23400  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    49   0.15000  1.0 3.0
   45    43    47    50   0.23400  1.0 3.0
   47    49    51    58   0.56750  1.0 1.0
   47    49    51    58  -0.07550 -1.0 2.0
   47    49    51    58   0.20000  1.0 3.0
   47    49    51    82   0.56750  1.0 1.0
   47    49    51    82  -0.07550 -1.0 2.0
   47    49    51    82   0.20000  1.0 3.0
   47    49    51    61   0.56750  1.0 1.0
   47    49    51    61  -0.07550 -1.0 2.0
   47    49    51    61   0.20000  1.0 3.0
   47    49    52    53   0.15000  1.0 3.0
   47    49    52    54   0.15000  1.0 3.0
   47    49    52    55   0.15000  1.0 3.0
   47    50    56    57   3.00000 -1.0 2.0
   47    50    56    65   2.00000 -1.0 2.0
   48    47    49    33   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    52   0.15000  1.0 3.0
   48    47    50    56   0.08050  1.0 3.0
   49    33    37    38   0.15000  1.0 3.0
   49    33   -37    43   0.56750  1.0 1.0
   49    33   -37    43  -0.07550 -1.0 2.0
   49    33   -37    43   0.20000  1.0 3.0
   49    33    37    46   0.62750  1.0 1.0
   49    33    37    46  -0.30950 -1.0 2.0
   49    33    37    46   0.27300  1.0 3.0
   49    33    39    40   0.62750  1.0 1.0
   49    33    39    40  -0.30950 -1.0 2.0
   49    33    39    40   0.27300  1.0 3.0
   49    33    39    41   0.15000  1.0 3.0
   49    33    39    42   0.15000  1.0 3.0
   49    47    50    56  -0.25900  1.0 1.0
   49    47    50    56  -0.47000 -1.0 2.0
   49    47    50    56   0.11750  1.0 3.0
   49    51    58    59   0.15000  1.0 3.0
   49    51    58    60   0.15000  1.0 3.0
   49    51    58    67  -0.95700  1.0 1.0
   49    51    58    67  -0.18200 -1.0 2.0
   49    51    58    67   0.29450  1.0 3.0
   49    51    82    76   0.34400  1.0 1.0
   49    51    82    76   0.09450 -1.0 2.0
   49    51    82    76   0.11100  1.0 3.0
   49    51    82    83   0.15000  1.0 3.0
   49    51   -82    46   0.62750  1.0 1.0
   49    51   -82    46  -0.30950 -1.0 2.0
   49    51   -82    46   0.27300  1.0 3.0
   49    51    61    62   0.15000  1.0 3.0
   49    51    61    63   0.15000  1.0 3.0
   49    51    61    64   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.15000  1.0 3.0
   51    58    67    68   0.30150 -1.0 2.0
   51    58    67    71   0.65300  1.0 1.0
   51    58    67    71  -0.03850 -1.0 2.0
   51    58    67    71   0.33900  1.0 3.0
   51    82   -46    37   0.06250  1.0 1.0
   51    82   -46    37  -0.01100 -1.0 2.0
   51    82   -46    37   0.28050  1.0 3.0
   58    51    82    76   0.34400  1.0 1.0
   58    51    82    76   0.09450 -1.0 2.0
   58    51    82    76   0.11100  1.0 3.0
   58    51    82    83   0.15000  1.0 3.0
   58    51    82    46   0.62750  1.0 1.0
   58    51    82    46  -0.30950 -1.0 2.0
   58    51    82    46   0.27300  1.0 3.0
   58    51    61    62   0.15000  1.0 3.0
   58    51    61    63   0.15000  1.0 3.0
   58    51    61    64   0.15000  1.0 3.0
   58    67   -71    76  -0.33500  1.0 1.0
   58    67   -71    76   1.06600 -1.0 2.0
   58    67   -71    76  -0.14000  1.0 3.0
   58    67    71    78   0.25700  1.0 1.0
   58    67    71    78   0.66200 -1.0 2.0
   58    67    71    78   0.04450  1.0 3.0
   59    58    67    68   0.00000  1.0 1.0
   59    58    67    71   0.00000  1.0 1.0
   60    58    67    68   0.00000  1.0 1.0
   60    58    67    71   0.00000  1.0 1.0
   67    71    76    77   7.00000 -1.0 2.0
   67    71    76    82   7.00000 -1.0 2.0
   67    71    78    79   0.15000  1.0 3.0
   67    71    78    80   0.15000  1.0 3.0
   67    71    78    81   0.15000  1.0 3.0
   68    67    71    76   1.00000 -1.0 2.0
   68    67    71    78  -0.64400  1.0 1.0
   68    67    71    78   0.26850 -1.0 2.0
   71    76   -82    51   0.09850  1.0 1.0
   71    76   -82    51   0.15250 -1.0 2.0
   71    76   -82    51  -0.50650  1.0 3.0
   71    76    82    83   0.00000  1.0 1.0
   71    76    82    46   0.39000  1.0 1.0
   71    76    82    46  -0.05800 -1.0 2.0
   71    76    82    46  -0.55150  1.0 3.0
   76    71    78    79   0.00000  1.0 1.0
   76    71    78    80   0.00000  1.0 1.0
   76    71    78    81   0.00000  1.0 1.0
   76    82    46    37  -0.77900  1.0 1.0
   76    82    46    37  -0.36900 -1.0 2.0
   76    82    46    37   0.40400  1.0 3.0
   77    76    82    51   0.00000  1.0 1.0
   77    76    82    83   0.33100  1.0 3.0
   77    76    82    46   0.00000  1.0 1.0
   82    51    58    59   0.15000  1.0 3.0
   82    51    58    60   0.15000  1.0 3.0
   82    51   -58    67  -0.95700  1.0 1.0
   82    51   -58    67  -0.18200 -1.0 2.0
   82    51   -58    67   0.29450  1.0 3.0
   82    51    61    62   0.15000  1.0 3.0
   82    51    61    63   0.15000  1.0 3.0
   82    51    61    64   0.15000  1.0 3.0
   83    82    46    37   0.37050  1.0 3.0
   46    37    43    44   0.23400  1.0 3.0
   46    37    43    45   0.23400  1.0 3.0
   46    37    43    47   0.62750  1.0 1.0
   46    37    43    47  -0.30950 -1.0 2.0
   46    37    43    47   0.27300  1.0 3.0
   78    71    76    77   7.00000 -1.0 2.0
   78    71    76    82   7.00000 -1.0 2.0
   61    51    58    59   0.15000  1.0 3.0
   61    51    58    60   0.15000  1.0 3.0
   61    51    58    67  -0.95700  1.0 1.0
   61    51    58    67  -0.18200 -1.0 2.0
   61    51    58    67   0.29450  1.0 3.0
   61    51    82    76   0.34400  1.0 1.0
   61    51    82    76   0.09450 -1.0 2.0
   61    51    82    76   0.11100  1.0 3.0
   61    51    82    83   0.15000  1.0 3.0
   61    51    82    46   0.62750  1.0 1.0
   61    51    82    46  -0.30950 -1.0 2.0
   61    51    82    46   0.27300  1.0 3.0
   52    49    51    58   0.56750  1.0 1.0
   52    49    51    58  -0.07550 -1.0 2.0
   52    49    51    58   0.20000  1.0 3.0
   52    49    51    82   0.56750  1.0 1.0
   52    49    51    82  -0.07550 -1.0 2.0
   52    49    51    82   0.20000  1.0 3.0
   52    49    51    61   0.56750  1.0 1.0
   52    49    51    61  -0.07550 -1.0 2.0
   52    49    51    61   0.20000  1.0 3.0
   50    47    49    33   0.62750  1.0 1.0
   50    47    49    33  -0.30950 -1.0 2.0
   50    47    49    33   0.27300  1.0 3.0
   50    47    49    51   0.62750  1.0 1.0
   50    47    49    51  -0.30950 -1.0 2.0
   50    47    49    51   0.27300  1.0 3.0
   50    47    49    52   0.62750  1.0 1.0
   50    47    49    52  -0.30950 -1.0 2.0
   50    47    49    52   0.27300  1.0 3.0
   50    56    65    66   1.63100 -1.0 2.0
   50    56    65    69  -0.56150  1.0 1.0
   50    56    65    69   2.19150 -1.0 2.0
   56    65    69    70   7.00000 -1.0 2.0
   56    65    69    72   7.00000 -1.0 2.0
   57    56    65    66   0.00000  1.0 1.0
   57    56    65    69   1.00000 -1.0 2.0
   65    69    72    73   0.00000  1.0 1.0
   65    69    72    74   0.00000  1.0 1.0
   65    69    72    75   0.00000  1.0 1.0
   66    65    69    70   7.00000 -1.0 2.0
   66    65    69    72   7.00000 -1.0 2.0
   70    69    72    73   0.33100  1.0 3.0
   70    69    72    74   0.33100  1.0 3.0
   70    69    72    75   0.33100  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    46   0.62750  1.0 1.0
   39    33    37    46  -0.30950 -1.0 2.0
   39    33    37    46   0.27300  1.0 3.0
   39    33    49    47   0.56750  1.0 1.0
   39    33    49    47  -0.07550 -1.0 2.0
   39    33    49    47   0.20000  1.0 3.0
   39    33    49    51   0.56750  1.0 1.0
   39    33    49    51  -0.07550 -1.0 2.0
   39    33    49    51   0.20000  1.0 3.0
   39    33    49    52   0.56750  1.0 1.0
   39    33    49    52  -0.07550 -1.0 2.0
   39    33    49    52   0.20000  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
   58    71    67    68  10.50000 -1.0 2.0
   67    78    71    76   1.10000 -1.0 2.0
   82    77    76    71   1.10000 -1.0 2.0
   50    65    56    57  10.50000 -1.0 2.0
   56    66    65    69  15.00000 -1.0 2.0
   72    70    69    65  15.00000 -1.0 2.0
END
