* LIGAND DATABASE FILE (OPLS2005)
*
001      84    87    162    252     473
    1     0 S   NP   _N1_     1    28.64254    92.87179   -20.68390
    2     1 S   H    _HN1     2     1.02792    91.46593   -88.11967
    3     1 S   H    _H1_     3     1.02948    96.31056    20.35917
    4     1 S   H    _H2_     4     1.02842    24.45068   138.81717
    5     1 S   CT   _CA1     5     1.50095   135.02438   148.00815
    6     5 S   HC   _HA1     6     1.09608   105.16748    55.43832
    7     5 S   CO3  _C1_     7     1.53693   112.10236   -64.22960
    8     7 S   O2Z  _O11     8     1.26383   115.22876   -56.20953
    9     7 S   O2Z  _O12     9     1.26238   114.93391   123.02333
   10     5 S   CT   _CB1    10     1.53142   107.33620   172.63654
   11    10 S   HC   HB11    11     1.09814   108.96300   -54.76323
   12    10 S   HC   HB12    12     1.09809   110.65935    61.66334
   13    10 S   CT   _CG1    13     1.52965   112.61940  -176.05896
   14    13 S   HC   HG11    14     1.09451   110.03656   -67.57376
   15    13 S   HC   HG12    15     1.09655   110.11880    51.47558
   16    13 S   C    _CD1    16     1.51832   112.55755   171.66056
   17    16 S   O    _OE1    17     1.22735   123.20850    -6.44193
   18    16 S   N    _N2_    18     1.38669   111.72752   174.71598
   19    18 S   H    _HN2    19     1.01637   118.95053    -1.31730
   20    18 S   CT1  _CA2    20     1.46274   123.33466   176.79435
   21    20 S   HC   _HA2    21     1.09737   109.34782    -8.32961
   22    20 S   C    _C2_    22     1.53504   108.23133  -123.75641
   23    22 S   O    _O2_    23     1.23028   122.20624  -146.00235
   24    20 S   CT   _CB2    32     1.53340   111.84634   113.89635
   25    24 S   HC   HB21    33     1.09611   109.83451    55.05355
   26    24 S   HC   HB22    34     1.09516   110.49997   174.18513
   27    22 S   N    _N3_    24     1.38501   113.45647    41.35177
   28    27 S   H    _HN3    25     1.01514   118.92344    -0.77884
   29    24 S   S    _SG2    35     1.82504   111.90080   -65.87802
   30    27 S   CT   _CA3    26     1.45454   123.53837   175.19792
   31    30 S   HC   HA31    27     1.09517   109.34271    22.38489
   32    30 S   HC   HA32    28     1.09499   107.09600   139.39362
   33    29 S   CT   _C21    36     1.82837    99.03541   176.21726
   34    33 S   HC   _H3_    37     1.09520   107.92371    84.28978
   35    33 S   HC   _H4_    38     1.09539   108.52884   -31.80608
   36    30 S   CO3  _C3_    29     1.52915   113.03488  -101.17283
   37    36 S   O2Z  _O31    30     1.26409   115.37799   -45.48657
   38    36 S   O2Z  _O32    31     1.26351   115.00746   135.43405
   39    33 S   CT   _C22    39     1.53726   113.64628  -153.47697
   40    39 S   HC   _H49    40     1.09853   108.11369   178.51958
   41    39 S   CO4  _C9_    41     1.52233   110.86194    62.08702
   42    41 S   O    _O21    42     1.22302   124.88382  -112.66950
   43    39 S   CT   _C20    81     1.52883   113.30592   -63.79468
   44    43 S   HC   _H44    82     1.09476   112.36705    66.58018
   45    43 S   HC   _H45    83     1.09591   110.34264  -174.13485
   46    43 S   HC   _H46    84     1.09488   110.82829   -54.75698
   47    41 S   OS   _O26    43     1.36793   109.28392    66.45911
   48    47 S   CT   _C17    44     1.45973   117.87455  -170.82722
   49    48 S   HC   _H42    45     1.09419   109.33250   -26.06340
   50    48 S   CT   _C13    46     1.55082   102.31988    92.90223
   51    50 S   HC   _H37    47     1.09856   108.26712   -41.06849
   52    50 S   HC   _H38    48     1.09870   108.13867    70.82404
   53    48 S   CT   _C15    63     1.55785   107.50764  -144.71955
   54    53 S   HC   _H40    64     1.09994   108.45173   -71.56174
   55    50 S   C3T  _C19    49     1.50987   119.61109  -162.14068
   56    53 S   CM   _C6_    65     1.50940   119.13257    49.29571
   57    55 S   C3T  _C16    50     1.53829   117.19792  -122.36050
   58    57 S   HC   _H41    51     1.08293   119.10618     6.88288
   59    56 S   CO4  _C7_    66     1.48295   108.12831   154.20830
   60    59 S   O    _O20    67     1.21734   127.41490   164.55143
   61    56 S   CM   _C8_    69     1.33660   133.56242   -23.59079
   62    61 S   HC   _H29    70     1.08041   122.95982    -1.55343
   63    61 S   HC   _H30    71     1.08641   121.38359   178.71702
   64    55 S   CO   _C18    76     1.51797   118.93122    44.41077
   65    64 S   HC   _H43    77     1.09482   111.56949   163.04302
   66    57 S   CT   _C12    52     1.49850   121.25994   155.16261
   67    66 S   HC   _H35    53     1.09629   109.26243   159.97483
   68    66 S   HC   _H36    54     1.09539   111.53566    43.20097
   69    82 S   OS   _O22    68     1.44033   106.91003   129.38335
   70    64 S   OH   _O25    78     1.42747   108.43745    46.01609
   71    70 S   HO   _H50    79     0.97486   106.87914   147.45815
   72    55 S   O3T  _O24    80     1.45487   112.27505   175.07280
   73    66 S   CT   _C10    55     1.53881   110.79673   -79.76794
   74    73 S   HC   _H31    56     1.09784   108.67841   -77.75837
   75    73 S   HC   _H32    57     1.09595   110.46803   166.19995
   76    73 S   CM   _C5_    58     1.51377   110.67546    43.39985
   77    76 S   CM   _C4_    59     1.34873   119.43778  -100.52584
   78    77 S   HC   _H28    60     1.08904   118.67766    -6.88111
   79    76 S   CT   _C11    72     1.50903   115.86475    69.05691
   80    79 S   HC   _H33    73     1.09609   112.33585     7.47953
   81    79 S   HC   _H34    74     1.09588   109.03881   125.01032
   82    77 S   CT   _C14    61     1.49590   125.85468   168.11855
   83    82 S   HC   _H39    62     1.09639   111.72047    13.88114
   84    79 S   OS   _O23    75     1.42869   111.57686  -116.18699
  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   7   5   4   3
  11   5   4   2   1   1   9   7  10   3   4   2   1   1  10  17
   8  15   6   5  14   7  13   9  13   6   8   3   4   1   1  10
   5   9   6   5   5   4   1   2  10   4   3   8   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    47    43    44    45    46  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    47    48    43    44    45    46  
   41    42    47    43    44    45    46  
   42    47    48    49    50    53    43    44    45    46  
   47    48    43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    52    55    82    53    54    56  
   49    50    51    52    55    57    77    82    83    53    54    56    59    69    61    64    72  
   50    51    52    55    82    53    54    56  
   51    52    55    57    58    66    82    53    54    56    84    64    65    70    72  
   52    55    57    53    64    72  
   55    57    53    64    72  
   54    56    59    60    69    61    62    63    55    76    77    78    82    83  
   56    59    69    61    77    82    83  
   57    58    66    67    68    73    79    84    64    65    70    71    72  
   59    60    69    61    62    63    77    82    83  
   58    66    67    68    73    74    75    76    84    64    65    70    72  
   66    67    68    73    64    72  
   60    69    61    62    63    77    82    83  
   69    61    82  
   62    63    69    82  
   63  
    0  
   65    70    71    72    66    76    79    80    81    84  
   70    71    72    79    84  
   67    68    73    74    75    76    77    79    72  
   68    73    74    75    76    72  
   73    74    75    76    72  
   76    77    78    82    83  
   71    72    79    84  
   84  
   73    84  
   74    75    76    77    78    82    79    80    81    84  
   75    76    77    79  
   76    77    79  
   77    78    82    83    79    80    81    84  
   78    82    83    79    80    81    84  
   82    83    79  
   80    81    84    82  
   81    84  
   84  
   83  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    43   268.000  1.529
   41    42   570.000  1.229
   41    47   214.000  1.327
   47    48   320.000  1.410
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   275.000  1.510
   55    57   260.000  1.509
   55    64   275.000  1.510
   55    72   335.000  1.432
   57    58   340.000  1.088
   57    66   275.000  1.510
   57    72   335.000  1.432
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   317.000  1.510
   76    77   549.000  1.340
   76    79   317.000  1.510
   77    78   340.000  1.080
   77    82   317.000  1.510
   82    83   340.000  1.090
   82    53   268.000  1.529
   82    69   320.000  1.410
   53    54   340.000  1.090
   53    56   317.000  1.510
   56    59   320.000  1.462
   56    61   549.000  1.340
   59    60   570.000  1.229
   59    69   214.000  1.327
   61    62   340.000  1.080
   61    63   340.000  1.080
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    84   320.000  1.410
   84    64   320.000  1.380
   64    65   340.000  1.090
   64    70   380.000  1.407
   70    71   553.000  0.945
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    47    81.00000  111.40000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    47    48    83.00000  116.90000
   47    41    42    83.00000  123.40000
   47    48    49    35.00000  109.50000
   47    48    50    50.00000  109.50000
   47    48    53    50.00000  109.50000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    55    70.00000  112.37300
   48    53    82    58.35000  112.70000
   48    53    54    37.50000  110.70000
   48    53    56    70.00000  112.02700
   50    48    49    37.50000  110.70000
   50    55    57    60.00000  120.94000
   50    55    64    75.00000  109.43000
   50    55    72    80.00000  116.47100
   52    50    51    33.00000  107.80000
   55    50    51    45.00000  109.38400
   55    50    52    45.00000  109.38400
   55    57    58    37.50000  117.20000
   55    57    66    60.00000  120.94000
   55    57    72    15.00000   60.43100
   55    64    84    90.00000  108.56700
   55    64    65    45.00000  112.01100
   55    64    70    90.00000  110.19100
   55    72    57    15.00000   59.14900
   57    66    67    45.00000  109.38400
   57    66    68    45.00000  109.38400
   57    66    73    70.00000  112.37300
   66    57    58    40.00000  115.04500
   66    73    74    37.50000  110.70000
   66    73    75    37.50000  110.70000
   66    73    76    70.00000  112.02700
   68    66    67    33.00000  107.80000
   73    66    67    37.50000  110.70000
   73    66    68    37.50000  110.70000
   73    76    77    70.00000  124.00000
   73    76    79    65.00000  117.92700
   75    73    74    33.00000  107.80000
   76    73    74    35.00000  109.50000
   76    73    75    35.00000  109.50000
   76    77    78    35.00000  120.00000
   76    77    82    70.00000  124.00000
   76    79    80    35.00000  109.50000
   76    79    81    35.00000  109.50000
   76    79    84    85.00000  110.90400
   77    82    83    35.00000  109.50000
   77    82    53    70.00000  112.02700
   77    82    69    85.00000  110.90400
   82    77    78    35.00000  117.00000
   82    53    54    37.50000  110.70000
   82    53    56    70.00000  112.02700
   82    69    59    83.00000  116.90000
   53    48    49    37.50000  110.70000
   53    48    50    58.35000  112.70000
   53    82    83    37.50000  110.70000
   53    56    59    65.00000  116.34900
   53    56    61    70.00000  124.00000
   56    53    54    35.00000  109.50000
   56    59    60    80.00000  123.72100
   56    59    69    90.00000  111.29400
   56    61    62    35.00000  120.00000
   56    61    63    35.00000  120.00000
   69    82    83    35.00000  109.50000
   69    82    53    50.00000  109.50000
   69    59    60    83.00000  123.40000
   61    56    59    65.00000  118.96000
   63    61    62    35.00000  117.00000
   79    76    77    70.00000  124.00000
   79    84    64    60.00000  109.50000
   81    79    80    33.00000  107.80000
   84    79    80    35.00000  109.50000
   84    79    81    35.00000  109.50000
   84    64    65    35.00000  109.50000
   84    64    70   110.00000  112.08000
   64    55    57    60.00000  120.94000
   64    70    71    70.00000  107.92000
   70    64    65    60.00000  108.02500
   72    55    57    15.00000   60.43100
   72    55    64    80.00000  116.47100
   72    57    58    50.00000  114.27700
   72    57    66    80.00000  116.47100
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    47   0.36750  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    46   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   39    41    47    48   1.63150  1.0 1.0
   39    41    47    48   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    47   0.00000  1.0 1.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    46   0.15000  1.0 3.0
   41    39    43    44  -0.11250  1.0 3.0
   41    39    43    45  -0.11250  1.0 3.0
   41    39    43    46  -0.11250  1.0 3.0
   41    47    48    49   0.08050  1.0 3.0
   41    47    48    50  -0.25900  1.0 1.0
   41    47    48    50  -0.47000 -1.0 2.0
   41    47    48    50   0.11750  1.0 3.0
   41    47    48    53  -0.25900  1.0 1.0
   41    47    48    53  -0.47000 -1.0 2.0
   41    47    48    53   0.11750  1.0 3.0
   42    41    47    48   3.00000 -1.0 2.0
   47    48    50    51   0.23400  1.0 3.0
   47    48    50    52   0.23400  1.0 3.0
   47    48    50    55  -0.26800  1.0 1.0
   47    48    50    55   0.69150 -1.0 2.0
   47    48    50    55  -0.48750  1.0 3.0
   47    48    53    82   0.62750  1.0 1.0
   47    48    53    82  -0.30950 -1.0 2.0
   47    48    53    82   0.27300  1.0 3.0
   47    48    53    54   0.23400  1.0 3.0
   47    48    53    56   0.61850  1.0 1.0
   47    48    53    56  -0.22750 -1.0 2.0
   47    48    53    56   0.15300  1.0 3.0
   48    50    55    57   0.07850  1.0 1.0
   48    50    55    57  -0.03950 -1.0 2.0
   48    50    55    57   0.67350  1.0 3.0
   48    50    55    64   3.97050  1.0 1.0
   48    50    55    72   0.02550  1.0 1.0
   48    50    55    72  -0.02600 -1.0 2.0
   48    50    55    72   1.20400  1.0 3.0
   48    53    56    59   0.09700  1.0 1.0
   48    53    56    59   0.15600 -1.0 2.0
   48    53    56    59  -0.50800  1.0 3.0
   48    53    56    61   0.09850  1.0 1.0
   48    53    56    61   0.15250 -1.0 2.0
   48    53    56    61  -0.50650  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    55   0.15000  1.0 3.0
   49    48    53    82   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    56   0.15000  1.0 3.0
   50    48    53    82   0.56750  1.0 1.0
   50    48    53    82  -0.07550 -1.0 2.0
   50    48    53    82   0.20000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    56   0.34400  1.0 1.0
   50    48    53    56   0.09450 -1.0 2.0
   50    48    53    56   0.11100  1.0 3.0
   50    55    57    58   0.15000  1.0 3.0
   50    55    57    66   0.56750  1.0 1.0
   50    55    57    66  -0.07550 -1.0 2.0
   50    55    57    66   0.20000  1.0 3.0
   50    55   -57    72   0.02550  1.0 1.0
   50    55   -57    72  -0.02600 -1.0 2.0
   50    55   -57    72   1.20400  1.0 3.0
   50    55    64    84   0.62750  1.0 1.0
   50    55    64    84  -0.30950 -1.0 2.0
   50    55    64    84   0.27300  1.0 3.0
   50    55    64    65   0.15000  1.0 3.0
   50    55    64    70   0.86500  1.0 1.0
   50    55    64    70  -0.17500 -1.0 2.0
   50    55    64    70   0.20800  1.0 3.0
   50    55   -72    57   0.06250  1.0 1.0
   50    55   -72    57  -0.01100 -1.0 2.0
   50    55   -72    57   0.28050  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    64   0.15000  1.0 3.0
   51    50    55    72   0.23400  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    50    55    64   0.15000  1.0 3.0
   52    50    55    72   0.23400  1.0 3.0
   55    57    66    67   0.15000  1.0 3.0
   55    57    66    68   0.15000  1.0 3.0
   55    57    66    73   0.07850  1.0 1.0
   55    57    66    73  -0.03950 -1.0 2.0
   55    57    66    73   0.67350  1.0 3.0
   55    64    70    71  -0.11600  1.0 1.0
   55    64    70    71  -0.09450 -1.0 2.0
   55    64    70    71   0.21250  1.0 3.0
   57    55    64    84  -0.26800  1.0 1.0
   57    55    64    84   0.69150 -1.0 2.0
   57    55    64    84  -0.48750  1.0 3.0
   57    55    64    65   0.15000  1.0 3.0
   57    55    64    70   0.86500  1.0 1.0
   57    55    64    70  -0.17500 -1.0 2.0
   57    55    64    70   0.20800  1.0 3.0
   57    66    73    74   0.15000  1.0 3.0
   57    66    73    75   0.15000  1.0 3.0
   57    66    73    76   0.34400  1.0 1.0
   57    66    73    76   0.09450 -1.0 2.0
   57    66    73    76   0.11100  1.0 3.0
   58    57    66    67   0.15000  1.0 3.0
   58    57    66    68   0.15000  1.0 3.0
   58    57    66    73   0.15000  1.0 3.0
   58    57   -72    55   0.36800  1.0 3.0
   66    57   -72    55   0.06250  1.0 1.0
   66    57   -72    55  -0.01100 -1.0 2.0
   66    57   -72    55   0.28050  1.0 3.0
   66    73    76    77   0.09850  1.0 1.0
   66    73    76    77   0.15250 -1.0 2.0
   66    73    76    77  -0.50650  1.0 3.0
   66    73    76    79   0.46850  1.0 1.0
   66    73    76    79   0.08550 -1.0 2.0
   66    73    76    79   0.09800  1.0 3.0
   67    66    73    74   0.15000  1.0 3.0
   67    66    73    75   0.15000  1.0 3.0
   67    66    73    76   0.15000  1.0 3.0
   68    66    73    74   0.15000  1.0 3.0
   68    66    73    75   0.15000  1.0 3.0
   68    66    73    76   0.15000  1.0 3.0
   73    76    77    78   7.00000 -1.0 2.0
   73    76    77    82   7.00000 -1.0 2.0
   73    76    79    80   0.34800  1.0 3.0
   73    76    79    81   0.34800  1.0 3.0
   73    76    79    84   0.09700  1.0 1.0
   73    76    79    84   0.15600 -1.0 2.0
   73    76    79    84  -0.50800  1.0 3.0
   74    73    76    77   0.00000  1.0 1.0
   74    73    76    79   0.34800  1.0 3.0
   75    73    76    77   0.00000  1.0 1.0
   75    73    76    79   0.34800  1.0 3.0
   76    77    82    83   0.00000  1.0 1.0
   76    77    82    53   0.09850  1.0 1.0
   76    77    82    53   0.15250 -1.0 2.0
   76    77    82    53  -0.50650  1.0 3.0
   76    77    82    69   0.39000  1.0 1.0
   76    77    82    69  -0.05800 -1.0 2.0
   76    77    82    69  -0.55150  1.0 3.0
   76    79    84    64  -0.77900  1.0 1.0
   76    79    84    64  -0.36900 -1.0 2.0
   76    79    84    64   0.40400  1.0 3.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    81   0.00000  1.0 1.0
   77    76    79    84   0.39000  1.0 1.0
   77    76    79    84  -0.05800 -1.0 2.0
   77    76    79    84  -0.55150  1.0 3.0
   77    82    53    48   0.34400  1.0 1.0
   77    82    53    48   0.09450 -1.0 2.0
   77    82    53    48   0.11100  1.0 3.0
   77    82    53    54   0.15000  1.0 3.0
   77    82    53    56   0.31000  1.0 1.0
   77    82    53    56   0.14700 -1.0 2.0
   77    82    53    56   0.07550  1.0 3.0
   77    82    69    59  -0.82050  1.0 1.0
   77    82    69    59   0.00600 -1.0 2.0
   77    82    69    59   0.04400  1.0 3.0
   78    77    82    83   0.33100  1.0 3.0
   78    77    82    53   0.00000  1.0 1.0
   78    77    82    69   0.00000  1.0 1.0
   82    53   -56    59   0.09700  1.0 1.0
   82    53   -56    59   0.15600 -1.0 2.0
   82    53   -56    59  -0.50800  1.0 3.0
   82    53    56    61   0.09850  1.0 1.0
   82    53    56    61   0.15250 -1.0 2.0
   82    53    56    61  -0.50650  1.0 3.0
   83    82    53    48   0.15000  1.0 3.0
   83    82    53    54   0.15000  1.0 3.0
   83    82    53    56   0.15000  1.0 3.0
   83    82    69    59   0.08050  1.0 3.0
   53    48    50    51   0.15000  1.0 3.0
   53    48    50    52   0.15000  1.0 3.0
   53    48    50    55   0.47050  1.0 1.0
   53    48    50    55   0.03900 -1.0 2.0
   53    48    50    55   0.20100  1.0 3.0
   53    82   -69    59  -0.25900  1.0 1.0
   53    82   -69    59  -0.47000 -1.0 2.0
   53    82   -69    59   0.11750  1.0 3.0
   53    56    59    60  -0.64400  1.0 1.0
   53    56    59    60   0.26850 -1.0 2.0
   53    56   -59    69  -0.15000  1.0 1.0
   53    56   -59    69   0.89550 -1.0 2.0
   53    56   -59    69  -0.06900  1.0 3.0
   53    56    61    62   7.00000 -1.0 2.0
   53    56    61    63   7.00000 -1.0 2.0
   54    53    56    59   0.15000  1.0 3.0
   54    53    56    61   0.00000  1.0 1.0
   56    59   -69    82   2.00000 -1.0 2.0
   59    56    61    62   7.00000 -1.0 2.0
   59    56    61    63   7.00000 -1.0 2.0
   60    59    69    82   3.00000 -1.0 2.0
   69    82    53    48   0.62750  1.0 1.0
   69    82    53    48  -0.30950 -1.0 2.0
   69    82    53    48   0.27300  1.0 3.0
   69    82    53    54   0.23400  1.0 3.0
   69    82   -53    56   0.61850  1.0 1.0
   69    82   -53    56  -0.22750 -1.0 2.0
   69    82   -53    56   0.15300  1.0 3.0
   61    56    59    60   1.00000 -1.0 2.0
   61    56    59    69  -0.56150  1.0 1.0
   61    56    59    69   2.19150 -1.0 2.0
   79    76    77    78   7.00000 -1.0 2.0
   79    76    77    82   7.00000 -1.0 2.0
   79    84    64    55   0.06250  1.0 1.0
   79    84    64    55  -0.01100 -1.0 2.0
   79    84    64    55   0.28050  1.0 3.0
   79    84    64    65   0.37050  1.0 3.0
   79    84    64    70  -0.70900  1.0 1.0
   79    84    64    70  -1.18000 -1.0 2.0
   79    84    64    70   0.91650  1.0 3.0
   80    79    84    64   0.37050  1.0 3.0
   81    79    84    64   0.37050  1.0 3.0
   84    64    70    71  -0.50000  1.0 1.0
   84    64    70    71  -0.73950 -1.0 2.0
   84    64    70    71   0.17150  1.0 3.0
   64    55    57    58   0.15000  1.0 3.0
   64    55    57    66   3.97050  1.0 1.0
   64    55   -57    72   0.02550  1.0 1.0
   64    55   -57    72  -0.02600 -1.0 2.0
   64    55   -57    72   1.20400  1.0 3.0
   64    55   -72    57   0.06250  1.0 1.0
   64    55   -72    57  -0.01100 -1.0 2.0
   64    55   -72    57   0.28050  1.0 3.0
   65    64    70    71   0.19450  1.0 3.0
   72    55   -57    58   0.23400  1.0 3.0
   72    55   -57    66   0.02550  1.0 1.0
   72    55   -57    66  -0.02600 -1.0 2.0
   72    55   -57    66   1.20400  1.0 3.0
   72    55    64    84   1.11900  1.0 1.0
   72    55    64    84  -1.16350 -1.0 2.0
   72    55    64    84  -0.34150  1.0 3.0
   72    55    64    65   0.23400  1.0 3.0
   72    55    64    70   3.69350  1.0 1.0
   72    55    64    70  -1.82950 -1.0 2.0
   72    57    66    67   0.23400  1.0 3.0
   72    57    66    68   0.23400  1.0 3.0
   72    57    66    73   0.02550  1.0 1.0
   72    57    66    73  -0.02600 -1.0 2.0
   72    57    66    73   1.20400  1.0 3.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    47   0.36750  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
   38    30    36    37  10.50000 -1.0 2.0
   39    47    41    42  10.50000 -1.0 2.0
   73    79    76    77   1.10000 -1.0 2.0
   82    78    77    76   1.10000 -1.0 2.0
   53    59    56    61   1.10000 -1.0 2.0
   56    69    59    60  10.50000 -1.0 2.0
   62    63    61    56   1.10000 -1.0 2.0
END
