* LIGAND DATABASE FILE (OPLS2005)
*
001      88    91    167    253     487
    1     0 S   NP   _N1_     1    28.74752    98.69759   -22.22222
    2     1 S   H    _HN1     2     1.02790    98.80334   -90.00149
    3     1 S   H    _H1_     3     1.02949    60.75596    16.19697
    4     1 S   H    _H2_     4     1.02827    52.79513   164.16413
    5     1 S   CT   _CA1     5     1.50130   148.76113    97.39755
    6     5 S   HC   _HA1     6     1.09573   105.17206   110.72274
    7     5 S   CO3  _C1_     7     1.53779   112.46823    -9.48856
    8     7 S   O2Z  _O11     8     1.26377   114.99779   -42.07495
    9     7 S   O2Z  _O12     9     1.26237   114.94381   136.97425
   10     5 S   CT   _CB1    10     1.53067   107.40841  -131.29632
   11    10 S   HC   HB11    11     1.09837   109.34756   -49.41735
   12    10 S   HC   HB12    12     1.09812   110.46020    67.18420
   13    10 S   CT   _CG1    13     1.53004   112.63072  -170.37059
   14    13 S   HC   HG11    14     1.09576   110.68448   -66.64620
   15    13 S   HC   HG12    15     1.09671   109.74321    52.60077
   16    13 S   C    _CD1    16     1.51805   112.10716   173.06189
   17    16 S   O    _OE1    17     1.22746   123.23237     9.78386
   18    16 S   N    _N2_    18     1.38637   111.74899  -170.31806
   19    18 S   H    _HN2    19     1.01578   118.98919     1.25959
   20    18 S   CT1  _CA2    20     1.46202   123.38750   177.11513
   21    20 S   HC   _HA2    21     1.09742   109.34493     4.97603
   22    20 S   C    _C2_    22     1.53585   108.69712  -110.54469
   23    22 S   O    _O2_    23     1.23066   122.29676  -147.77563
   24    20 S   CT   _CB2    32     1.53251   111.58750   126.96318
   25    24 S   HC   HB21    33     1.09494   110.14634    57.02917
   26    24 S   HC   HB22    34     1.09479   109.98527   175.94957
   27    22 S   N    _N3_    24     1.38334   113.75327    39.67048
   28    27 S   H    _HN3    25     1.01566   119.59927    -3.16589
   29    24 S   S    _SG2    35     1.82677   111.43545   -64.34198
   30    27 S   CT   _CA3    26     1.45276   123.22201   177.17832
   31    30 S   HC   HA31    27     1.09549   107.51004   -64.78417
   32    30 S   HC   HA32    28     1.09558   107.98998    51.65836
   33    29 S   CT   _C23    36     1.87835    99.47970  -179.96044
   34    33 S   HC   _H5_    37     1.09412   106.24335    15.64149
   35    30 S   CO3  _C3_    29     1.52961   114.07759   173.67526
   36    35 S   O2Z  _O31    30     1.26378   116.08929    -0.08623
   37    35 S   O2Z  _O32    31     1.26427   114.41211   179.97202
   38    33 S   CT   _C22    38     1.54197   108.43008   -99.13264
   39    38 S   HC   _H4_    39     1.09674   109.33601   177.77463
   40    38 S   CO4  _C21    40     1.52043   108.31041   -65.30602
   41    40 S   O    _O36    41     1.22738   123.92843   135.70164
   42    38 S   OS   _O37    84     1.42199   110.32980    58.67523
   43    40 S   CM   _C20    42     1.47932   116.06688   -48.04961
   44    43 S   HC   _H25    43     1.08470   116.09067  -157.32835
   45    42 S   CT   _C24    85     1.42133   113.38771   153.45725
   46    45 S   HC   _H26    86     1.09331   108.22335   177.29051
   47    45 S   HC   _H27    87     1.09344   111.26065    58.10582
   48    45 S   HC   _H28    88     1.09429   110.26440   -64.28437
   49    43 S   CM   _C19    44     1.34665   120.96396    15.59847
   50    49 S   CT   _C18    45     1.52202   118.06157  -164.37685
   51    50 S   HC   _H3_    46     1.10047   108.36211    -0.87402
   52    33 S   CT   _C7_    60     1.59259   112.43048   135.75061
   53    50 S   CT   _C17    47     1.53787   113.97769  -115.91747
   54    53 S   HC   _H23    48     1.09850   111.76007  -117.04599
   55    53 S   HC   _H24    49     1.09903   107.78533   128.30327
   56    52 S   CT   _C6_    61     1.56533   111.08597  -164.84034
   57    56 S   HC   _H11    62     1.09025   112.62338    62.13484
   58    56 S   HC   _H12    63     1.09744   110.53519   -53.93742
   59    50 S   NT   _N4_    67     1.48194   112.67580   116.81111
   60    53 S   CT   _C16    50     1.52307   113.64240     8.16549
   61    60 S   HC   _H21    51     1.09791   107.07902   159.96882
   62    60 S   HC   _H22    52     1.09561   113.52440    44.88972
   63    56 S   CT   _C5_    64     1.54148   112.39472  -175.15843
   64    63 S   HC   _H9_    65     1.09754   109.21316  -178.12988
   65    63 S   HC   _H10    66     1.09644   109.71818   -63.92414
   66    59 S   CT   _C4_    68     1.46518   111.76463   -80.33913
   67    66 S   HC   _H6_    69     1.09586   110.42091   -59.55276
   68    66 S   HC   _H7_    70     1.09582   110.52456  -176.70616
   69    66 S   HC   _H8_    71     1.09484   113.11928    61.77590
   70    60 S   CA   _C9_    53     1.51223   110.58309   -80.17879
   71    70 S   CA   _C10    54     1.41794   115.00813  -119.82129
   72    71 S   HA   _H13    55     1.08725   118.18599    -1.36731
   73    71 S   CA   _C11    56     1.38854   121.96826   179.01882
   74    73 S   CA   _C12    57     1.39028   118.21448    -1.20106
   75    73 S   OS   _O35    79     1.36950   125.85519   178.63542
   76    74 S   CA   _C13    58     1.40678   121.35879    -0.59643
   77    74 S   OH   _O34    77     1.37266   118.86844   177.19781
   78    77 S   HO   _H17    78     0.97386   107.57694     0.63581
   79    75 S   CT   _C15    80     1.42269   117.10961    -0.95429
   80    79 S   HC   _H18    81     1.09428   107.73581  -179.28318
   81    79 S   HC   _H19    82     1.09494   111.10287    63.00627
   82    79 S   HC   _H20    83     1.09500   111.15990   -61.53666
   83    70 S   CA   _C8_    59     1.42251   124.40066    59.07429
   84    76 S   OS   _O33    72     1.37653   119.43141   178.14017
   85    84 S   CT   _C14    73     1.42937   113.82025    59.29954
   86    85 S   HC   _H14    74     1.09446   107.68422   146.46869
   87    85 S   HC   _H15    75     1.09609   112.73440    27.63892
   88    85 S   HC   _H16    76     1.09354   110.23322   -96.71443
  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  10   5   4   3
  18   8   2   1   1  14   6   8   4   6   9   3   3   2   1   1
  16  19   8  15  11   6   5  10   6   5   8   8   4   3   7   2
   1   3   2   1   1   8   8   4  11   8   6   8   3   1   3   2
   1   1   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    83    52    56    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    50    70    76    83    52    56    57    58    63    42    45  
   38    39    40    49    83    52    56    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    83    52    56    42    45    46    47    48  
   40    41    43    52    42    45  
   41    43    44    49    50    52    42    45  
   43    44    49    42  
   45    46    47    48    43    52  
   44    49    50    51    53    83    52    56    59  
   49    50    52  
   46    47    48  
   47    48  
   48  
    0  
   50    51    53    54    55    60    70    76    83    52    56    57    58    63    59    66  
   51    53    54    55    60    61    62    70    83    52    56    63    64    65    59    66    67    68    69  
   53    54    55    60    52    63    59    66  
   56    57    58    63    64    65    59    84    53    60    70    71    74    76    83  
   54    55    60    61    62    70    71    83    63    59    66  
   55    60    61    62    70    59  
   60    61    62    70    59  
   57    58    63    64    65    59    66    70    76    83  
   58    63    64    65    59    83  
   63    64    65    59    83  
   66    67    68    69    60    63    64    65  
   61    62    70    71    72    73    76    83  
   62    70    71    83  
   70    71    83  
   64    65    66    67    68    69    83  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    76    83    84    75  
   72    73    74    76    83    77    75    79  
   73    74    83    75  
   74    76    83    84    77    78    75    79    80    81    82  
   76    83    84    85    77    78    75    79  
   79    80    81    82    76    77  
   83    84    85    86    87    88    77    78  
   78    83    84  
    0  
   80    81    82  
   81    82  
   82  
    0  
   84    85  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   60   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5000   0.0660   0.110000   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   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   84   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   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    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   268.000  1.529
   33    52   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   320.000  1.410
   40    41   570.000  1.229
   40    43   320.000  1.462
   43    44   340.000  1.080
   43    49   549.000  1.340
   49    50   317.000  1.510
   49    52   317.000  1.510
   50    51   340.000  1.090
   50    53   268.000  1.529
   50    59   382.000  1.448
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    70   317.000  1.510
   70    71   469.000  1.400
   70    83   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   469.000  1.400
   73    75   450.000  1.364
   74    76   469.000  1.400
   74    77   450.000  1.364
   76    83   469.000  1.400
   76    84   450.000  1.364
   83    52   317.000  1.510
   52    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    59   382.000  1.448
   59    66   382.000  1.448
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   84    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   77    78   553.000  0.945
   75    79   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   42    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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  111.63000
   29    33    52    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    52    49    70.00000  112.02700
   33    52    83    70.00000  112.17500
   33    52    56    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    43    65.00000  118.62400
   38    42    45    60.00000  109.50000
   40    38    39    35.00000  109.50000
   40    43    44    40.00000  117.72500
   40    43    49    65.00000  118.96000
   43    40    41    80.00000  123.72100
   43    49    50    70.00000  124.00000
   43    49    52    70.00000  124.00000
   49    43    44    35.00000  120.00000
   49    50    51    35.00000  109.50000
   49    50    53    70.00000  112.02700
   49    50    59    75.00000  110.70900
   49    52    83    70.00000  112.99600
   49    52    56    70.00000  112.02700
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    60    58.35000  112.70000
   50    59    63    51.80000  107.20000
   50    59    66    51.80000  107.20000
   53    50    51    37.50000  110.70000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    70    70.00000  112.17500
   55    53    54    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    55    37.50000  110.70000
   60    70    71    70.00000  120.00000
   60    70    83    70.00000  120.00000
   62    60    61    33.00000  107.80000
   70    60    61    35.00000  109.50000
   70    60    62    35.00000  109.50000
   70    71    72    35.00000  120.00000
   70    71    73    63.00000  120.00000
   70    83    76    63.00000  120.00000
   70    83    52    70.00000  120.00000
   71    73    74    63.00000  120.00000
   71    73    75    70.00000  120.00000
   73    71    72    35.00000  120.00000
   73    74    76    63.00000  120.00000
   73    74    77    70.00000  120.00000
   73    75    79    75.00000  111.00000
   74    76    83    63.00000  120.00000
   74    76    84    70.00000  120.00000
   74    77    78    35.00000  113.00000
   76    83    52    70.00000  120.00000
   76    84    85    75.00000  111.00000
   83    70    71    63.00000  120.00000
   83    52    56    70.00000  112.17500
   52    33    34    37.50000  110.70000
   52    33    38    58.35000  112.70000
   52    49    50    65.00000  117.92700
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    63    58.35000  112.70000
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    59    56.20000  109.47000
   58    56    57    33.00000  107.80000
   63    56    57    37.50000  110.70000
   63    56    58    37.50000  110.70000
   63    59    66    51.80000  107.20000
   65    63    64    33.00000  107.80000
   59    50    51    35.00000  109.50000
   59    50    53    56.20000  109.47000
   59    63    64    35.00000  109.50000
   59    63    65    35.00000  109.50000
   59    66    67    35.00000  109.50000
   59    66    68    35.00000  109.50000
   59    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   84    76    83    70.00000  120.00000
   84    85    86    35.00000  109.50000
   84    85    87    35.00000  109.50000
   84    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   77    74    76    70.00000  120.00000
   75    73    74    70.00000  120.00000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    82    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  108.74100
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    52    49   0.56750  1.0 1.0
   29    33    52    49  -0.07550 -1.0 2.0
   29    33    52    49   0.20000  1.0 3.0
   29    33    52    83   0.56750  1.0 1.0
   29    33    52    83  -0.07550 -1.0 2.0
   29    33    52    83   0.20000  1.0 3.0
   29    33    52    56   0.44750  1.0 1.0
   29    33    52    56  -0.17800 -1.0 2.0
   29    33    52    56   0.20200  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    43   0.65300  1.0 1.0
   33    38    40    43  -0.03850 -1.0 2.0
   33    38    40    43   0.33900  1.0 3.0
   33    38    42    45   0.06250  1.0 1.0
   33    38    42    45  -0.01100 -1.0 2.0
   33    38    42    45   0.28050  1.0 3.0
   33    52    56    57   0.15000  1.0 3.0
   33    52    56    58   0.15000  1.0 3.0
   33    52    56    63   0.56750  1.0 1.0
   33    52    56    63  -0.07550 -1.0 2.0
   33    52    56    63   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    52    49   0.15000  1.0 3.0
   34    33    52    83   0.43200  1.0 3.0
   34    33    52    56   0.15000  1.0 3.0
   38    33    52    49   0.34400  1.0 1.0
   38    33    52    49   0.09450 -1.0 2.0
   38    33    52    49   0.11100  1.0 3.0
   38    33    52    83  -0.03700  1.0 1.0
   38    33    52    83   0.37200 -1.0 2.0
   38    33    52    83  -0.47300  1.0 3.0
   38    33    52    56   0.56750  1.0 1.0
   38    33    52    56  -0.07550 -1.0 2.0
   38    33    52    56   0.20000  1.0 3.0
   38    40    43    44   0.04550  1.0 1.0
   38    40    43    44   0.83000 -1.0 2.0
   38    40    43    44  -0.04000  1.0 3.0
   38    40   -43    49  -0.33500  1.0 1.0
   38    40   -43    49   1.06600 -1.0 2.0
   38    40   -43    49  -0.14000  1.0 3.0
   38    42    45    46   0.37050  1.0 3.0
   38    42    45    47   0.37050  1.0 3.0
   38    42    45    48   0.37050  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    43   0.00000  1.0 1.0
   39    38    42    45   0.37050  1.0 3.0
   40    38    42    45  -1.11000  1.0 1.0
   40    38    42    45   0.50250 -1.0 2.0
   40    38    42    45   0.47450  1.0 3.0
   40    43    49    50   7.00000 -1.0 2.0
   40    43    49    52   7.00000 -1.0 2.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    49   1.00000 -1.0 2.0
   43    49    50    51   0.00000  1.0 1.0
   43    49    50    53   0.09850  1.0 1.0
   43    49    50    53   0.15250 -1.0 2.0
   43    49    50    53  -0.50650  1.0 3.0
   43    49    50    59   0.90200  1.0 1.0
   43    49    50    59   0.57900 -1.0 2.0
   43    49    50    59  -0.62100  1.0 3.0
   43    49   -52    33   0.09850  1.0 1.0
   43    49   -52    33   0.15250 -1.0 2.0
   43    49   -52    33  -0.50650  1.0 3.0
   43    49    52    83   1.44450  1.0 1.0
   43    49    52    83   0.06600 -1.0 2.0
   43    49    52    83   0.29250  1.0 3.0
   43    49    52    56   0.09850  1.0 1.0
   43    49    52    56   0.15250 -1.0 2.0
   43    49    52    56  -0.50650  1.0 3.0
   44    43    49    50   7.00000 -1.0 2.0
   44    43    49    52   7.00000 -1.0 2.0
   49    50    53    54   0.15000  1.0 3.0
   49    50    53    55   0.15000  1.0 3.0
   49    50    53    60   0.34400  1.0 1.0
   49    50    53    60   0.09450 -1.0 2.0
   49    50    53    60   0.11100  1.0 3.0
   49    50    59    63  -0.60800  1.0 1.0
   49    50    59    63   1.10050 -1.0 2.0
   49    50    59    63   0.47000  1.0 3.0
   49    50    59    66  -0.60800  1.0 1.0
   49    50    59    66   1.10050 -1.0 2.0
   49    50    59    66   0.47000  1.0 3.0
   49    52    56    57   0.15000  1.0 3.0
   49    52    56    58   0.15000  1.0 3.0
   49    52   -56    63   0.34400  1.0 1.0
   49    52   -56    63   0.09450 -1.0 2.0
   49    52   -56    63   0.11100  1.0 3.0
   50    49    52    33   0.46850  1.0 1.0
   50    49    52    33   0.08550 -1.0 2.0
   50    49    52    33   0.09800  1.0 3.0
   50    49    52    83   0.09700  1.0 1.0
   50    49    52    83   0.15600 -1.0 2.0
   50    49    52    83  -0.50800  1.0 3.0
   50    49    52    56   0.46850  1.0 1.0
   50    49    52    56   0.08550 -1.0 2.0
   50    49    52    56   0.09800  1.0 3.0
   50    53    60    61   0.15000  1.0 3.0
   50    53    60    62   0.15000  1.0 3.0
   50    53    60    70  -0.03700  1.0 1.0
   50    53    60    70   0.37200 -1.0 2.0
   50    53    60    70  -0.47300  1.0 3.0
   50    59    66    67   0.28000  1.0 3.0
   50    59    66    68   0.28000  1.0 3.0
   50    59    66    69   0.28000  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    60   0.15000  1.0 3.0
   51    50    59    63   0.28000  1.0 3.0
   51    50    59    66   0.28000  1.0 3.0
   53    50    59    63   0.23450  1.0 1.0
   53    50    59    63   0.02050 -1.0 2.0
   53    50    59    63   0.25250  1.0 3.0
   53    50    59    66   0.23450  1.0 1.0
   53    50    59    66   0.02050 -1.0 2.0
   53    50    59    66   0.25250  1.0 3.0
   53    60    70    71   0.04150 -1.0 2.0
   53    60    70    83   0.04150 -1.0 2.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    70   0.43200  1.0 3.0
   55    53    60    61   0.15000  1.0 3.0
   55    53    60    62   0.15000  1.0 3.0
   55    53    60    70   0.43200  1.0 3.0
   60    70    71    72   3.62500 -1.0 2.0
   60    70    71    73   3.62500 -1.0 2.0
   60    70    83    76   3.62500 -1.0 2.0
   60    70    83    52   3.62500 -1.0 2.0
   61    60    70    71   0.00000  1.0 1.0
   61    60    70    83   0.00000  1.0 1.0
   62    60    70    71   0.00000  1.0 1.0
   62    60    70    83   0.00000  1.0 1.0
   70    71    73    74   3.62500 -1.0 2.0
   70    71    73    75   3.62500 -1.0 2.0
   70    83    52    33   0.04150 -1.0 2.0
   70    83    52    49   0.18050 -1.0 2.0
   70    83    52    56   0.04150 -1.0 2.0
   71    70    83    76   3.62500 -1.0 2.0
   71    70    83    52   3.62500 -1.0 2.0
   71    73   -74    76   3.62500 -1.0 2.0
   71    73    74    77   3.62500 -1.0 2.0
   71    73    75    79   1.63200 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    74    76    83   3.62500 -1.0 2.0
   73    74    76    84   3.62500 -1.0 2.0
   73    74    77    78   0.84100 -1.0 2.0
   73    75    79    80   0.08050  1.0 3.0
   73    75    79    81   0.08050  1.0 3.0
   73    75    79    82   0.08050  1.0 3.0
   74    73    75    79   1.63200 -1.0 2.0
   74    76   -83    70   3.62500 -1.0 2.0
   74    76    83    52   3.62500 -1.0 2.0
   74    76    84    85   1.63200 -1.0 2.0
   76    74    77    78   0.84100 -1.0 2.0
   76    83    52    33   0.04150 -1.0 2.0
   76    83    52    49   0.18050 -1.0 2.0
   76    83    52    56   0.04150 -1.0 2.0
   76    84    85    86   0.08050  1.0 3.0
   76    84    85    87   0.08050  1.0 3.0
   76    84    85    88   0.08050  1.0 3.0
   83    70    71    72   3.62500 -1.0 2.0
   83    70   -71    73   3.62500 -1.0 2.0
   83    76    84    85   1.63200 -1.0 2.0
   83    52    56    57   0.43200  1.0 3.0
   83    52    56    58   0.43200  1.0 3.0
   83    52    56    63  -0.03700  1.0 1.0
   83    52    56    63   0.37200 -1.0 2.0
   83    52    56    63  -0.47300  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33   -38    40  -0.95700  1.0 1.0
   52    33   -38    40  -0.18200 -1.0 2.0
   52    33   -38    40   0.29450  1.0 3.0
   52    33    38    42   0.62750  1.0 1.0
   52    33    38    42  -0.30950 -1.0 2.0
   52    33    38    42   0.27300  1.0 3.0
   52    49    50    51   0.34800  1.0 3.0
   52    49    50    53   0.46850  1.0 1.0
   52    49    50    53   0.08550 -1.0 2.0
   52    49    50    53   0.09800  1.0 3.0
   52    49    50    59   0.52100  1.0 1.0
   52    49    50    59  -0.20350 -1.0 2.0
   52    49    50    59   0.29750  1.0 3.0
   52    56    63    64   0.15000  1.0 3.0
   52    56    63    65   0.15000  1.0 3.0
   52    56   -63    59   1.53400  1.0 1.0
   52    56   -63    59  -0.09950 -1.0 2.0
   52    56   -63    59   0.05700  1.0 3.0
   56    63   -59    50   0.23450  1.0 1.0
   56    63   -59    50   0.02050 -1.0 2.0
   56    63   -59    50   0.25250  1.0 3.0
   56    63    59    66   0.58650  1.0 1.0
   56    63    59    66   0.12600 -1.0 2.0
   56    63    59    66   0.33350  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    65   0.15000  1.0 3.0
   57    56    63    59   0.15000  1.0 3.0
   58    56    63    64   0.15000  1.0 3.0
   58    56    63    65   0.15000  1.0 3.0
   58    56    63    59   0.15000  1.0 3.0
   63    59    66    67   0.28000  1.0 3.0
   63    59    66    68   0.28000  1.0 3.0
   63    59    66    69   0.28000  1.0 3.0
   64    63    59    50   0.28000  1.0 3.0
   64    63    59    66   0.28000  1.0 3.0
   65    63    59    50   0.28000  1.0 3.0
   65    63    59    66   0.28000  1.0 3.0
   59    50    53    54   0.15000  1.0 3.0
   59    50    53    55   0.15000  1.0 3.0
   59    50    53    60   1.53400  1.0 1.0
   59    50    53    60  -0.09950 -1.0 2.0
   59    50    53    60   0.05700  1.0 3.0
   84    76    83    70   3.62500 -1.0 2.0
   84    76    83    52   3.62500 -1.0 2.0
   77    74    76    83   3.62500 -1.0 2.0
   77    74    76    84   3.62500 -1.0 2.0
   75    73    74    76   3.62500 -1.0 2.0
   75    73    74    77   3.62500 -1.0 2.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    43   0.65300  1.0 1.0
   42    38    40    43  -0.03850 -1.0 2.0
   42    38    40    43   0.33900  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
   36    30    35    37  10.50000 -1.0 2.0
   38    43    40    41  10.50000 -1.0 2.0
   40    44    43    49   1.10000 -1.0 2.0
   50    52    49    43   1.10000 -1.0 2.0
   71    83    70    60   4.00000 -1.0 2.0
   73    72    71    70   1.10000 -1.0 2.0
   74    75    73    71   4.00000 -1.0 2.0
   76    77    74    73   4.00000 -1.0 2.0
   83    84    76    74   4.00000 -1.0 2.0
   76    52    83    70   4.00000 -1.0 2.0
END
