* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    161    247     474
    1     0 S   NP   _N1_     1    28.66036    95.69231   -21.62690
    2     1 S   H    _HN1     2     1.02837    34.92839   163.06573
    3     1 S   H    _H1_     3     1.02775    90.77074   -75.72211
    4     1 S   H    _H2_     4     1.02964    84.59570    32.65469
    5     1 S   CT   _CA1     5     1.50175   145.22420   151.07734
    6     5 S   HC   _HA1     6     1.09570   105.18729    66.45238
    7     5 S   CO3  _C1_     7     1.53832   112.42030   -53.67222
    8     7 S   O2Z  _O11     8     1.26374   115.00053   -39.45866
    9     7 S   O2Z  _O12     9     1.26239   114.96880   139.63626
   10     5 S   CT   _CB1    10     1.53105   107.39066  -175.56628
   11    10 S   HC   HB11    11     1.09819   109.36558   -48.85742
   12    10 S   HC   HB12    12     1.09826   110.35409    67.71541
   13    10 S   CT   _CG1    13     1.53017   112.77658  -169.96906
   14    13 S   HC   HG11    14     1.09539   110.37268   -62.69357
   15    13 S   HC   HG12    15     1.09640   110.09101    56.44184
   16    13 S   C    _CD1    16     1.51869   112.25967   176.55639
   17    16 S   O    _OE1    17     1.22725   123.19067    -9.19377
   18    16 S   N    _N2_    18     1.38606   111.69205   171.53285
   19    18 S   H    _HN2    19     1.01579   118.99199     0.94936
   20    18 S   CT1  _CA2    20     1.46328   123.49893  -178.82497
   21    20 S   HC   _HA2    21     1.09731   109.42091   -11.28380
   22    20 S   C    _C2_    22     1.53417   108.25495  -126.95985
   23    22 S   O    _O2_    23     1.23014   122.30415  -145.39959
   24    20 S   CT   _CB2    32     1.53432   111.24909   110.86081
   25    24 S   HC   HB21    33     1.09576   109.50346    54.67447
   26    24 S   HC   HB22    34     1.09491   110.74481   173.49112
   27    22 S   N    _N3_    24     1.38531   113.34612    41.95937
   28    27 S   H    _HN3    25     1.01524   118.88717    -0.58717
   29    24 S   S    _SG2    35     1.82739   111.41963   -66.94810
   30    27 S   CT   _CA3    26     1.45449   123.45944   175.11336
   31    30 S   HC   HA31    27     1.09523   109.23757    24.37803
   32    30 S   HC   HA32    28     1.09495   107.12064   141.38322
   33    29 S   CT   _C21    36     1.83885   100.08023   151.36296
   34    33 S   HC   _H3_    37     1.09601   104.75262   -47.71677
   35    30 S   CO3  _C3_    29     1.52926   113.11778   -99.09987
   36    35 S   O2Z  _O31    30     1.26402   115.40708   -44.34933
   37    35 S   O2Z  _O32    31     1.26356   114.98043   136.58480
   38    33 S   CM   _C6_    38     1.53987   111.52533  -163.87536
   39    33 S   CT   _C20    82     1.52951   111.94887    67.75786
   40    39 S   HC   _H46    83     1.09450   112.84171    55.70635
   41    39 S   HC   _H47    84     1.09553   111.06781   -65.06392
   42    39 S   HC   _H48    85     1.09607   110.55895   176.41734
   43    38 S   CMA  _C7_    39     1.37204   125.12611   -63.43419
   44    43 S   OM   _O20    40     1.26958   125.09677    -0.00000
   45    38 S   CT   _C11    69     1.53232   113.15521   121.86887
   46    45 S   HC   _H32    70     1.09811   109.97383    23.69857
   47    45 S   HC   _H33    71     1.09642   107.17718   135.15473
   48    43 S   OS   _O22    41     1.42982   111.94648  -179.07995
   49    48 S   CT   _C15    42     1.42806   115.30155  -148.05499
   50    49 S   HC   _H38    43     1.10186   109.84090    33.37309
   51    49 S   CT   _C13    44     1.53459   113.80679   151.80351
   52    51 S   HC   _H36    45     1.09763   109.64005   -78.23412
   53    49 S   CT   _C16    56     1.52123   114.67718   -90.30534
   54    53 S   HC   _H39    57     1.09346   112.81138    76.28278
   55    51 S   CM   _C5_    46     1.50866   121.13899    48.93525
   56    53 S   OH   _O24    58     1.42475   111.34571   -45.22214
   57    56 S   HO   _H50    59     0.97195   107.34365   179.61948
   58    55 S   CM   _C4_    47     1.33679   110.08565   127.36820
   59    58 S   HC   _H27    48     1.08003   125.36179   177.22957
   60    55 S   CT   _C10    60     1.48676   124.19934   -56.22911
   61    60 S   HC   _H30    61     1.09596   109.62989    76.62233
   62    60 S   HC   _H31    62     1.09612   111.04738  -162.82120
   63    58 S   CT   _C9_    49     1.48696   110.52892    -1.20885
   64    63 S   HC   _H28    50     1.09607   109.23831   107.14888
   65    63 S   HC   _H29    51     1.09485   111.77568  -134.28925
   66    60 S   OS   _O23    63     1.43108   108.35134   -42.98985
   67    51 S   NTH0 _N19    52     1.50750   103.02418   165.06459
   68    66 S   CO4  _C8_    64     1.36288   115.39543   173.35318
   69    68 S   O    _O21    65     1.22475   125.54715    14.69836
   70    67 S   CT   _C12    53     1.48765   106.78630   -26.06110
   71    70 S   HC   _H34    54     1.09554   113.87376  -122.71917
   72    70 S   HC   _H35    55     1.09622   106.53567   118.90656
   73    68 S   CT   _C17    66     1.53053   109.87902  -163.06303
   74    73 S   CT   _C14    67     1.56270   110.48565    53.64896
   75    74 S   HC   _H37    68     1.09819   108.27822   -63.15761
   76    73 S   CT   _C19    76     1.53159   108.36227   -71.16028
   77    76 S   HC   _H43    77     1.09490   111.65213  -165.09737
   78    76 S   HC   _H44    78     1.09498   111.70105    72.58082
   79    76 S   HC   _H45    79     1.09685   110.70133   -47.28172
   80    73 S   OH   _O25    80     1.42774   107.50636   172.24562
   81    80 S   HO   _H51    81     0.97286   107.95846    60.56472
   82    74 S   CT   _C18    72     1.53527   111.51980   179.44468
   83    82 S   HC   _H40    73     1.09471   111.68751   -65.35060
   84    82 S   HC   _H41    74     1.09101   111.12158   173.83973
   85    82 S   HC   _H42    75     1.09297   111.51526    55.80699
  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   9   5   4   3
  13   7   2   1   1  15   5   2   1   1  10   3  13   5   4  10
  15   8  18   7   9   6  12   5   1  10   5   8   3   2   6   3
   2   6   3  11   4   2   1   1  12  11   6   6   3   2   1   2
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    48    74    45    46    47    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    48    49    73    74    75    45    46    47    82    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    48    49    50    51    53    74    45    46    47  
   48    49    45  
   46    47    82    83    84    85    76    80    48    68    73    74    75  
   47    82    73    74    75  
   82    73    74    75  
   49    50    51    52    55    67    70    53    54    56  
   50    51    52    55    58    63    67    70    71    72    53    54    56    57    60  
   51    52    55    67    70    53    54    56  
   52    55    58    59    63    64    65    67    70    71    72    53    54    56    60    61    62    66  
   55    58    63    67    70    53    60  
   54    56    57    55    63    67    70    71    72  
   56    57    67    70    71    72  
   58    59    63    64    65    67    70    60    61    62    66    68  
   57    67    70    71    72  
   70  
   59    63    64    65    67    70    60    61    62    66  
   63    64    65    67    60  
   61    62    66    68    69    73    63    67  
   62    66    68  
   66    68  
   64    65    67    70    71    72  
   65    67    70  
   67    70  
   68    69    73    74    76    80  
   70    71    72  
   69    73    74    75    82    76    77    78    79    80    81  
   73    74    76    80  
   71    72  
   72  
    0  
   74    75    82    83    84    85    76    77    78    79    80    81  
   75    82    83    84    85    76    77    78    79    80    81  
   82    83    84    85    76    80  
   77    78    79    80    81    82  
   78    79    80  
   79    80  
   80  
   81    82  
    0  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   67   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    48   440.000  1.360
   48    49   320.000  1.410
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    53   268.000  1.529
   51    52   340.000  1.090
   51    55   317.000  1.510
   51    67   310.000  1.447
   55    58   549.000  1.340
   55    60   317.000  1.510
   58    59   340.000  1.080
   58    63   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   310.000  1.447
   67    70   310.000  1.447
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    53   268.000  1.529
   53    54   340.000  1.090
   53    56   320.000  1.410
   56    57   553.000  0.945
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   320.000  1.410
   66    68   214.000  1.327
   68    69   570.000  1.229
   68    73   317.000  1.522
   73    74   268.000  1.529
   73    76   268.000  1.529
   73    80   320.000  1.410
   74    75   340.000  1.090
   74    45   268.000  1.529
   74    82   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   553.000  0.945
   39    40   340.000  1.090
   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    48    80.00000  120.01400
   38    45    74    70.00000  112.02700
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   43    48    49    90.00000  111.18400
   48    43    44    65.00000  121.00000
   48    49    50    35.00000  109.50000
   48    49    51    50.00000  109.50000
   48    49    53    50.00000  109.50000
   49    51    52    37.50000  110.70000
   49    51    55    70.00000  112.02700
   49    51    67    75.00000  113.73300
   49    53    70    58.35000  112.70000
   49    53    54    37.50000  110.70000
   49    53    56    50.00000  109.50000
   51    49    50    37.50000  110.70000
   51    55    58    70.00000  124.00000
   51    55    60    65.00000  117.92700
   51    67    63    80.00000  110.40700
   51    67    70    80.00000  110.40700
   55    51    52    35.00000  109.50000
   55    58    59    35.00000  120.00000
   55    58    63    70.00000  124.00000
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   55    60    66    85.00000  110.90400
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    67    75.00000  110.70900
   63    58    59    35.00000  117.00000
   63    67    70    80.00000  110.40700
   65    63    64    33.00000  107.80000
   67    51    52    50.00000  110.15500
   67    51    55    75.00000  110.70900
   67    63    64    50.00000  110.15500
   67    63    65    50.00000  110.15500
   67    70    71    50.00000  110.15500
   67    70    72    50.00000  110.15500
   67    70    53    75.00000  113.73300
   70    53    54    37.50000  110.70000
   70    53    56    50.00000  109.50000
   72    70    71    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    58.35000  112.70000
   53    70    71    37.50000  110.70000
   53    70    72    37.50000  110.70000
   53    56    57    55.00000  108.50000
   56    53    54    35.00000  109.50000
   60    55    58    70.00000  124.00000
   60    66    68    83.00000  116.90000
   62    60    61    33.00000  107.80000
   66    60    61    35.00000  109.50000
   66    60    62    35.00000  109.50000
   66    68    69    83.00000  123.40000
   66    68    73    81.00000  111.40000
   68    73    74    63.00000  111.10000
   68    73    76    63.00000  111.10000
   68    73    80    90.00000  109.61100
   73    68    69    80.00000  120.40000
   73    74    75    37.50000  110.70000
   73    74    45    58.35000  112.70000
   73    74    82    58.35000  112.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    37.50000  110.70000
   73    80    81    55.00000  108.50000
   74    45    46    37.50000  110.70000
   74    45    47    37.50000  110.70000
   74    82    83    37.50000  110.70000
   74    82    84    37.50000  110.70000
   74    82    85    37.50000  110.70000
   45    38    43    70.00000  124.00000
   45    74    75    37.50000  110.70000
   47    45    46    33.00000  107.80000
   82    74    75    37.50000  110.70000
   82    74    45    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   76    73    74    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    73    74    50.00000  109.50000
   80    73    76    50.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  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    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    38    45    74   0.46850  1.0 1.0
   33    38    45    74   0.08550 -1.0 2.0
   33    38    45    74   0.09800  1.0 3.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    48    49  -2.26850  1.0 1.0
   38    43    48    49   3.39050 -1.0 2.0
   43    38    45    74   0.09850  1.0 1.0
   43    38    45    74   0.15250 -1.0 2.0
   43    38    45    74  -0.50650  1.0 3.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    48    49    50   0.08050  1.0 3.0
   43    48    49    51  -0.46850  1.0 1.0
   43    48    49    51   0.09300 -1.0 2.0
   43    48    49    51  -0.12850  1.0 3.0
   43    48    49    53  -0.46850  1.0 1.0
   43    48    49    53   0.09300 -1.0 2.0
   43    48    49    53  -0.12850  1.0 3.0
   44    43    48    49   2.00000 -1.0 2.0
   48    49    51    52   0.23400  1.0 3.0
   48    49    51    55   0.61850  1.0 1.0
   48    49    51    55  -0.22750 -1.0 2.0
   48    49    51    55   0.15300  1.0 3.0
   48    49    51    67   0.63850  1.0 1.0
   48    49    51    67   0.02700 -1.0 2.0
   48    49    53    70   0.62750  1.0 1.0
   48    49    53    70  -0.30950 -1.0 2.0
   48    49    53    70   0.27300  1.0 3.0
   48    49    53    54   0.23400  1.0 3.0
   48    49    53    56   3.69350  1.0 1.0
   48    49    53    56  -1.82950 -1.0 2.0
   49    51    55    58   0.09850  1.0 1.0
   49    51    55    58   0.15250 -1.0 2.0
   49    51    55    58  -0.50650  1.0 3.0
   49    51    55    60   0.46850  1.0 1.0
   49    51    55    60   0.08550 -1.0 2.0
   49    51    55    60   0.09800  1.0 3.0
   49    51    67    63   1.99000  1.0 1.0
   49    51    67    63   0.18800 -1.0 2.0
   49    51    67    63   0.81350  1.0 3.0
   49    51   -67    70   1.99000  1.0 1.0
   49    51   -67    70   0.18800 -1.0 2.0
   49    51   -67    70   0.81350  1.0 3.0
   49    53    56    57  -0.11600  1.0 1.0
   49    53    56    57  -0.09450 -1.0 2.0
   49    53    56    57   0.21250  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    55   0.15000  1.0 3.0
   50    49    51    67   0.15000  1.0 3.0
   50    49    53    70   0.15000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    56   0.23400  1.0 3.0
   51    49   -53    70   0.56750  1.0 1.0
   51    49   -53    70  -0.07550 -1.0 2.0
   51    49   -53    70   0.20000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    56   0.86500  1.0 1.0
   51    49    53    56  -0.17500 -1.0 2.0
   51    49    53    56   0.20800  1.0 3.0
   51    55    58    59   7.00000 -1.0 2.0
   51    55   -58    63   7.00000 -1.0 2.0
   51    55    60    61   0.34800  1.0 3.0
   51    55    60    62   0.34800  1.0 3.0
   51    55    60    66   0.09700  1.0 1.0
   51    55    60    66   0.15600 -1.0 2.0
   51    55    60    66  -0.50800  1.0 3.0
   51    67    70    71   0.28000  1.0 3.0
   51    67    70    72   0.28000  1.0 3.0
   51    67   -70    53   1.99000  1.0 1.0
   51    67   -70    53   0.18800 -1.0 2.0
   51    67   -70    53   0.81350  1.0 3.0
   52    51    55    58   0.00000  1.0 1.0
   52    51    55    60   0.34800  1.0 3.0
   52    51    67    63   0.28000  1.0 3.0
   52    51    67    70   0.28000  1.0 3.0
   55    51   -67    63  -0.60800  1.0 1.0
   55    51   -67    63   1.10050 -1.0 2.0
   55    51   -67    63   0.47000  1.0 3.0
   55    51    67    70  -0.60800  1.0 1.0
   55    51    67    70   1.10050 -1.0 2.0
   55    51    67    70   0.47000  1.0 3.0
   55    58    63    64   0.00000  1.0 1.0
   55    58    63    65   0.00000  1.0 1.0
   55    58   -63    67   0.90200  1.0 1.0
   55    58   -63    67   0.57900 -1.0 2.0
   55    58   -63    67  -0.62100  1.0 3.0
   55    60    66    68  -0.82050  1.0 1.0
   55    60    66    68   0.00600 -1.0 2.0
   55    60    66    68   0.04400  1.0 3.0
   58    55    60    61   0.00000  1.0 1.0
   58    55    60    62   0.00000  1.0 1.0
   58    55    60    66   0.39000  1.0 1.0
   58    55    60    66  -0.05800 -1.0 2.0
   58    55    60    66  -0.55150  1.0 3.0
   58    63   -67    51  -0.60800  1.0 1.0
   58    63   -67    51   1.10050 -1.0 2.0
   58    63   -67    51   0.47000  1.0 3.0
   58    63    67    70  -0.60800  1.0 1.0
   58    63    67    70   1.10050 -1.0 2.0
   58    63    67    70   0.47000  1.0 3.0
   59    58    63    64   0.33100  1.0 3.0
   59    58    63    65   0.33100  1.0 3.0
   59    58    63    67   0.00000  1.0 1.0
   63    67    70    71   0.28000  1.0 3.0
   63    67    70    72   0.28000  1.0 3.0
   63    67    70    53   1.99000  1.0 1.0
   63    67    70    53   0.18800 -1.0 2.0
   63    67    70    53   0.81350  1.0 3.0
   64    63    67    51   0.28000  1.0 3.0
   64    63    67    70   0.28000  1.0 3.0
   65    63    67    51   0.28000  1.0 3.0
   65    63    67    70   0.28000  1.0 3.0
   67    51   -55    58   0.90200  1.0 1.0
   67    51   -55    58   0.57900 -1.0 2.0
   67    51   -55    58  -0.62100  1.0 3.0
   67    51    55    60   0.52100  1.0 1.0
   67    51    55    60  -0.20350 -1.0 2.0
   67    51    55    60   0.29750  1.0 3.0
   67    70   -53    49   1.53400  1.0 1.0
   67    70   -53    49  -0.09950 -1.0 2.0
   67    70   -53    49   0.05700  1.0 3.0
   67    70    53    54   0.15000  1.0 3.0
   67    70    53    56   3.18500  1.0 1.0
   70    53    56    57  -0.11600  1.0 1.0
   70    53    56    57  -0.09450 -1.0 2.0
   70    53    56    57   0.21250  1.0 3.0
   71    70    53    49   0.15000  1.0 3.0
   71    70    53    54   0.15000  1.0 3.0
   71    70    53    56   0.23400  1.0 3.0
   72    70    53    49   0.15000  1.0 3.0
   72    70    53    54   0.15000  1.0 3.0
   72    70    53    56   0.23400  1.0 3.0
   53    49    51    52   0.15000  1.0 3.0
   53    49    51    55   0.34400  1.0 1.0
   53    49    51    55   0.09450 -1.0 2.0
   53    49    51    55   0.11100  1.0 3.0
   53    49   -51    67   1.53400  1.0 1.0
   53    49   -51    67  -0.09950 -1.0 2.0
   53    49   -51    67   0.05700  1.0 3.0
   54    53    56    57   0.19450  1.0 3.0
   60    55    58    59   7.00000 -1.0 2.0
   60    55    58    63   7.00000 -1.0 2.0
   60    66    68    69   3.00000 -1.0 2.0
   60    66    68    73   1.63150  1.0 1.0
   60    66    68    73   2.92000 -1.0 2.0
   61    60    66    68   0.08050  1.0 3.0
   62    60    66    68   0.08050  1.0 3.0
   66    68    73    74   0.36750  1.0 3.0
   66    68    73    76   0.36750  1.0 3.0
   66    68    73    80   0.30750  1.0 1.0
   66    68    73    80   1.13850 -1.0 2.0
   66    68    73    80   0.38850  1.0 3.0
   68    73    74    75  -0.11250  1.0 3.0
   68    73    74    45  -0.95700  1.0 1.0
   68    73    74    45  -0.18200 -1.0 2.0
   68    73    74    45   0.29450  1.0 3.0
   68    73    74    82  -0.95700  1.0 1.0
   68    73    74    82  -0.18200 -1.0 2.0
   68    73    74    82   0.29450  1.0 3.0
   68    73    76    77  -0.11250  1.0 3.0
   68    73    76    78  -0.11250  1.0 3.0
   68    73    76    79  -0.11250  1.0 3.0
   68    73    80    81   0.91850  1.0 1.0
   68    73    80    81   0.57950  1.0 3.0
   69    68    73    74   0.30150 -1.0 2.0
   69    68    73    76   0.30150 -1.0 2.0
   69    68    73    80   0.30150 -1.0 2.0
   73    74    45    38   0.34400  1.0 1.0
   73    74    45    38   0.09450 -1.0 2.0
   73    74    45    38   0.11100  1.0 3.0
   73    74    45    46   0.15000  1.0 3.0
   73    74    45    47   0.15000  1.0 3.0
   73    74    82    83   0.15000  1.0 3.0
   73    74    82    84   0.15000  1.0 3.0
   73    74    82    85   0.15000  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   74    73    80    81  -0.11600  1.0 1.0
   74    73    80    81  -0.09450 -1.0 2.0
   74    73    80    81   0.21250  1.0 3.0
   75    74    45    38   0.15000  1.0 3.0
   75    74    45    46   0.15000  1.0 3.0
   75    74    45    47   0.15000  1.0 3.0
   75    74    82    83   0.15000  1.0 3.0
   75    74    82    84   0.15000  1.0 3.0
   75    74    82    85   0.15000  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    48   7.00000 -1.0 2.0
   45    74    82    83   0.15000  1.0 3.0
   45    74    82    84   0.15000  1.0 3.0
   45    74    82    85   0.15000  1.0 3.0
   82    74    45    38   0.34400  1.0 1.0
   82    74    45    38   0.09450 -1.0 2.0
   82    74    45    38   0.11100  1.0 3.0
   82    74    45    46   0.15000  1.0 3.0
   82    74    45    47   0.15000  1.0 3.0
   76    73    74    75   0.15000  1.0 3.0
   76    73    74    45   0.56750  1.0 1.0
   76    73    74    45  -0.07550 -1.0 2.0
   76    73    74    45   0.20000  1.0 3.0
   76    73    74    82   0.56750  1.0 1.0
   76    73    74    82  -0.07550 -1.0 2.0
   76    73    74    82   0.20000  1.0 3.0
   76    73    80    81  -0.11600  1.0 1.0
   76    73    80    81  -0.09450 -1.0 2.0
   76    73    80    81   0.21250  1.0 3.0
   80    73    74    75   0.23400  1.0 3.0
   80    73    74    45   0.86500  1.0 1.0
   80    73    74    45  -0.17500 -1.0 2.0
   80    73    74    45   0.20800  1.0 3.0
   80    73    74    82   0.86500  1.0 1.0
   80    73    74    82  -0.17500 -1.0 2.0
   80    73    74    82   0.20800  1.0 3.0
   80    73    76    77   0.23400  1.0 3.0
   80    73    76    78   0.23400  1.0 3.0
   80    73    76    79   0.23400  1.0 3.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    45    38    43   1.10000 -1.0 2.0
   44    48    43    38   1.10000 -1.0 2.0
   51    60    55    58   1.10000 -1.0 2.0
   63    59    58    55   1.10000 -1.0 2.0
   66    73    68    69  10.50000 -1.0 2.0
END
