* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    166    263     496
    1     0 S   NP   _N1_     1    28.97325    95.15192   -19.71593
    2     1 S   H    _HN1     2     1.02776    80.15671   -82.59529
    3     1 S   H    _H1_     3     1.02961    92.96918    25.49441
    4     1 S   H    _H2_     4     1.02833    37.60801   139.96193
    5     1 S   CT   _CA1     5     1.50123   146.93968   161.48297
    6     5 S   HC   _HA1     6     1.09575   105.24620    45.37037
    7     5 S   CO3  _C1_     7     1.53841   112.28481   -74.84290
    8     7 S   O2Z  _O11     8     1.26366   115.00707   -45.30686
    9     7 S   O2Z  _O12     9     1.26244   114.91923   133.75367
   10     5 S   CT   _CB1    10     1.53092   107.40613   163.26008
   11    10 S   HC   HB11    11     1.09819   109.42520   -50.48078
   12    10 S   HC   HB12    12     1.09825   110.39311    66.10631
   13    10 S   CT   _CG1    13     1.52981   112.61191  -171.60801
   14    13 S   HC   HG11    14     1.09551   110.28690   -60.84376
   15    13 S   HC   HG12    15     1.09636   110.12942    58.22532
   16    13 S   C    _CD1    16     1.51828   112.22217   178.40590
   17    16 S   O    _OE1    17     1.22735   123.20582   -10.92854
   18    16 S   N    _N2_    18     1.38578   111.68504   169.79903
   19    18 S   H    _HN2    19     1.01594   118.90204     0.07133
   20    18 S   CT1  _CA2    20     1.46164   123.50805  -178.19138
   21    20 S   HC   _HA2    21     1.09726   109.40693   -13.50163
   22    20 S   C    _C2_    22     1.53404   108.19593  -129.24609
   23    22 S   O    _O2_    23     1.23007   122.26724  -145.28791
   24    20 S   CT   _CB2    32     1.53490   111.32410   108.63534
   25    24 S   HC   HB21    33     1.09483   109.68495    56.44969
   26    24 S   HC   HB22    34     1.09516   110.30326   174.45921
   27    22 S   N    _N3_    24     1.38517   113.33072    42.01184
   28    27 S   H    _HN3    25     1.01535   118.88392    -0.72605
   29    24 S   S    _SG2    35     1.83394   111.62371   -66.77129
   30    27 S   CT   _CA3    26     1.45456   123.52496   175.20556
   31    30 S   HC   HA31    27     1.09518   109.31389    22.65317
   32    30 S   HC   HA32    28     1.09497   107.09474   139.66111
   33    29 S   CT   _C7_    36     1.86295   101.49134   141.14848
   34    30 S   CO3  _C3_    29     1.52922   113.09574  -100.88781
   35    34 S   O2Z  _O31    30     1.26404   115.40566   -44.53997
   36    34 S   O2Z  _O32    31     1.26356   114.98879   136.40790
   37    33 S   CO4  _C8_    37     1.51403   108.62167    58.02273
   38    37 S   O    _O35    38     1.22427   126.18628    22.64668
   39    33 S   CT   _C5_    76     1.57038   111.52459   177.99309
   40    39 S   HC   _H7_    77     1.09947   107.79087   179.83449
   41    37 S   CO4  _C9_    39     1.49967   116.54464  -160.65539
   42    41 S   O    _O34    40     1.22260   115.98907  -154.51342
   43    39 S   CT   _C4_    78     1.53884   113.86859   -62.85456
   44    43 S   HC   _H4_    79     1.09420   112.09618    64.57235
   45    43 S   HC   _H5_    80     1.09393   111.68326   -57.28991
   46    43 S   HC   _H6_    81     1.09606   110.31208  -175.90175
   47    39 S   CT   _C6_    82     1.53864   114.19280    62.44035
   48    47 S   HC   _H8_    83     1.09412   112.16752   -63.08985
   49    47 S   HC   _H9_    84     1.09609   110.32071   177.33288
   50    47 S   HC   _H10    85     1.09378   111.66373    58.85961
   51    41 S   CM   _C10    41     1.49604   119.50087    27.93024
   52    51 S   CM   _C11    42     1.34989   118.84390    -1.76813
   53    33 S   CO4  _C12    43     1.52875   108.40310   -61.96259
   54    53 S   O    _O33    44     1.23218   122.36075   -30.92939
   55    52 S   CT   _C13    45     1.51094   123.62463   173.51118
   56    55 S   HC   _H11    46     1.09836   107.92674   116.29934
   57    55 S   HC   _H12    47     1.09706   110.16185  -127.37087
   58    55 S   CT   _C14    48     1.52598   115.23352    -4.86703
   59    58 S   HC   _H13    49     1.09406   107.64014   159.61934
   60    58 S   HC   _H14    50     1.09483   109.96350   -85.48289
   61    58 S   CT   _C15    51     1.53433   110.04338    37.34137
   62    61 S   HC   _H3_    52     1.10474   105.24226    49.62876
   63    51 S   CT   _C16    53     1.55817   119.09014   174.50909
   64    63 S   CT   _C17    54     1.55510   113.03042    43.94713
   65    64 S   HC   _H15    55     1.09830   109.54628    49.54848
   66    64 S   HC   _H16    56     1.09396   111.36137   -68.13827
   67    63 S   CT   _C23    72     1.54699   105.08602   -75.10314
   68    67 S   HC   _H27    73     1.08809   113.32817   175.93182
   69    67 S   HC   _H28    74     1.09709   111.08973    57.58358
   70    67 S   HC   _H29    75     1.09448   112.45340   -61.56124
   71    64 S   CT   _C18    57     1.52876   114.08367   171.92815
   72    71 S   HC   _H17    58     1.09485   110.51688    66.27538
   73    71 S   HC   _H18    59     1.09695   108.78651  -177.85187
   74    71 S   CT   _C19    60     1.51988   112.20328   -57.35366
   75    74 S   HC   _H19    61     1.09754   109.15328   178.63126
   76    74 S   HC   _H20    62     1.09883   107.84881   -66.61183
   77    61 S   CT   _C20    63     1.56950   114.34254   162.46370
   78    77 S   CT   _C21    64     1.53962   114.58454    56.96899
   79    78 S   HC   _H21    65     1.09434   111.79851   -50.33979
   80    78 S   HC   _H22    66     1.09727   110.57487  -169.30404
   81    78 S   HC   _H23    67     1.08902   113.27836    72.32977
   82    77 S   CT   _C22    68     1.55314   109.77625   -62.40033
   83    82 S   HC   _H24    69     1.09446   112.08281    70.75640
   84    82 S   HC   _H25    70     1.09576   111.41262   -50.38304
   85    82 S   HC   _H26    71     1.09676   110.97154  -169.90091
  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  11   5   4   3
  19   2   1   1  12   5  13   9   9   3   8   3   2   1   4   2
   1   1  19  12   6   1   9   5   4  11   5   4  22   7  14  13
   6   5   5   2   1   1   8   5   4  11   4   3   8   7   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    52    53    54    39    40    43    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    51    52    53    54    55    39    40    43    44    45    46    47    48    49    50  
   35    36  
   36  
    0  
   38    41    42    51    52    53    54    63    39    40    43    47  
   41    42    51    53    39  
   40    43    44    45    46    47    48    49    50    41    52    53    54  
   43    44    45    46    47    48    49    50    53  
   42    51    52    53    55    61    63    64    67  
   51    52    63  
   44    45    46    47    48    49    50    53  
   45    46    47  
   46    47  
   47  
   48    49    50    53  
   49    50  
   50  
    0  
   52    53    54    55    56    57    58    61    62    63    64    65    66    71    77    67    68    69    70  
   53    54    55    56    57    58    59    60    61    63    64    67  
   54    55    56    57    58    63  
   55  
   56    57    58    59    60    61    62    63    77  
   57    58    59    60    61  
   58    59    60    61  
   59    60    61    62    63    64    74    77    78    82    67  
   60    61    62    63    77  
   61    62    63    77  
   62    63    64    65    66    71    74    75    76    77    78    79    80    81    82    83    84    85    67    68    69    70  
   63    64    74    77    78    82    67  
   64    65    66    71    72    73    74    77    78    82    67    68    69    70  
   65    66    71    72    73    74    75    76    77    67    68    69    70  
   66    71    72    73    74    67  
   71    72    73    74    67  
   68    69    70    71    77  
   69    70  
   70  
    0  
   72    73    74    75    76    77    78    82  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77    78    79    80    81    82    83    84    85  
   76    77    78    82  
   77    78    82  
   78    79    80    81    82    83    84    85  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    53   317.000  1.522
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   250.000  1.523
   41    42   570.000  1.229
   41    51   320.000  1.462
   51    52   549.000  1.340
   51    63   317.000  1.510
   52    53   320.000  1.462
   52    55   317.000  1.510
   53    54   570.000  1.229
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    77   268.000  1.529
   63    64   268.000  1.529
   63    67   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   268.000  1.529
   77    82   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   39    40   340.000  1.090
   39    43   268.000  1.529
   39    47   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    53    75.00000  110.18000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.45000
   33    53    52    65.00000  118.62400
   33    53    54    80.00000  120.40000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   33    39    47    58.35000  112.70000
   37    41    42    80.00000  119.30300
   37    41    51    65.00000  116.00000
   41    37    38    80.00000  119.30300
   41    51    52    65.00000  118.96000
   41    51    63    65.00000  116.34900
   51    41    42    80.00000  123.72100
   51    52    53    65.00000  118.96000
   51    52    55    70.00000  124.00000
   51    63    61    70.00000  112.02700
   51    63    64    70.00000  112.02700
   51    63    67    70.00000  112.02700
   52    53    54    80.00000  123.72100
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    58    70.00000  112.02700
   53    33    37    75.00000  107.99600
   55    52    53    65.00000  116.34900
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    61    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    58.35000  112.70000
   58    61    77    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    63    64    58.35000  112.70000
   61    63    67    58.35000  112.70000
   61    77    74    58.35000  112.70000
   61    77    78    58.35000  112.70000
   61    77    82    58.35000  112.70000
   63    51    52    70.00000  124.00000
   63    61    62    37.50000  110.70000
   63    64    65    37.50000  110.70000
   63    64    66    37.50000  110.70000
   63    64    71    58.35000  112.70000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    70    37.50000  110.70000
   64    71    72    37.50000  110.70000
   64    71    73    37.50000  110.70000
   64    71    74    58.35000  112.70000
   66    64    65    33.00000  107.80000
   71    64    65    37.50000  110.70000
   71    64    66    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    77    78    58.35000  112.70000
   74    77    82    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    61    62    37.50000  110.70000
   77    61    63    58.35000  112.70000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    78    79    37.50000  110.70000
   77    78    80    37.50000  110.70000
   77    78    81    37.50000  110.70000
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    85    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    77    78    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
   67    63    64    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    53    63.00000  111.10000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   39    47    48    37.50000  110.70000
   39    47    49    37.50000  110.70000
   39    47    50    37.50000  110.70000
   43    39    40    37.50000  110.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    39    40    37.50000  110.70000
   47    39    43    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    53    52   0.65300  1.0 1.0
   29    33    53    52  -0.03850 -1.0 2.0
   29    33    53    52   0.33900  1.0 3.0
   29    33    53    54   0.30150 -1.0 2.0
   29    33    39    40   0.15000  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
   29    33    39    47   0.44750  1.0 1.0
   29    33    39    47  -0.17800 -1.0 2.0
   29    33    39    47   0.20200  1.0 3.0
   33    37    41    42   0.49600 -1.0 2.0
   33    37    41    51   0.43900  1.0 1.0
   33    37    41    51  -0.18150 -1.0 2.0
   33    37    41    51  -0.03650  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
   33    39    47    48   0.15000  1.0 3.0
   33    39    47    49   0.15000  1.0 3.0
   33    39    47    50   0.15000  1.0 3.0
   37    33    53    52   0.65300  1.0 1.0
   37    33    53    52  -0.03850 -1.0 2.0
   37    33    53    52   0.33900  1.0 3.0
   37    33    53    54   0.30150 -1.0 2.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    43  -0.95700  1.0 1.0
   37    33    39    43  -0.18200 -1.0 2.0
   37    33    39    43   0.29450  1.0 3.0
   37    33    39    47  -0.95700  1.0 1.0
   37    33    39    47  -0.18200 -1.0 2.0
   37    33    39    47   0.29450  1.0 3.0
   37    41   -51    52   0.50400  1.0 1.0
   37    41   -51    52   1.60000 -1.0 2.0
   37    41   -51    52  -0.01800  1.0 3.0
   37    41    51    63   1.50000 -1.0 2.0
   38    37    41    42   0.06100 -1.0 2.0
   38    37    41    51   0.03000  1.0 1.0
   38    37    41    51   0.58800 -1.0 2.0
   38    37    41    51   0.15550  1.0 3.0
   41    51    52    53   7.00000 -1.0 2.0
   41    51    52    55   7.00000 -1.0 2.0
   41    51    63    61   0.09700  1.0 1.0
   41    51    63    61   0.15600 -1.0 2.0
   41    51    63    61  -0.50800  1.0 3.0
   41    51    63    64   0.09700  1.0 1.0
   41    51    63    64   0.15600 -1.0 2.0
   41    51    63    64  -0.50800  1.0 3.0
   41    51    63    67   0.09700  1.0 1.0
   41    51    63    67   0.15600 -1.0 2.0
   41    51    63    67  -0.50800  1.0 3.0
   42    41    51    52   1.00000 -1.0 2.0
   42    41    51    63  -0.64400  1.0 1.0
   42    41    51    63   0.26850 -1.0 2.0
   51    52   -53    33  -0.33500  1.0 1.0
   51    52   -53    33   1.06600 -1.0 2.0
   51    52   -53    33  -0.14000  1.0 3.0
   51    52    53    54   1.00000 -1.0 2.0
   51    52    55    56   0.00000  1.0 1.0
   51    52    55    57   0.00000  1.0 1.0
   51    52    55    58   0.09850  1.0 1.0
   51    52    55    58   0.15250 -1.0 2.0
   51    52    55    58  -0.50650  1.0 3.0
   51    63    64    65   0.15000  1.0 3.0
   51    63    64    66   0.15000  1.0 3.0
   51    63    64    71   0.34400  1.0 1.0
   51    63    64    71   0.09450 -1.0 2.0
   51    63    64    71   0.11100  1.0 3.0
   51    63    67    68   0.15000  1.0 3.0
   51    63    67    69   0.15000  1.0 3.0
   51    63    67    70   0.15000  1.0 3.0
   52    51    63    61   0.09850  1.0 1.0
   52    51    63    61   0.15250 -1.0 2.0
   52    51    63    61  -0.50650  1.0 3.0
   52    51    63    64   0.09850  1.0 1.0
   52    51    63    64   0.15250 -1.0 2.0
   52    51    63    64  -0.50650  1.0 3.0
   52    51    63    67   0.09850  1.0 1.0
   52    51    63    67   0.15250 -1.0 2.0
   52    51    63    67  -0.50650  1.0 3.0
   52    55    58    59   0.15000  1.0 3.0
   52    55    58    60   0.15000  1.0 3.0
   52    55   -58    61   0.34400  1.0 1.0
   52    55   -58    61   0.09450 -1.0 2.0
   52    55   -58    61   0.11100  1.0 3.0
   53    33    37    38   0.30150 -1.0 2.0
   53    33   -37    41   0.65300  1.0 1.0
   53    33   -37    41  -0.03850 -1.0 2.0
   53    33   -37    41   0.33900  1.0 3.0
   53    33    39    40  -0.11250  1.0 3.0
   53    33    39    43  -0.95700  1.0 1.0
   53    33    39    43  -0.18200 -1.0 2.0
   53    33    39    43   0.29450  1.0 3.0
   53    33    39    47  -0.95700  1.0 1.0
   53    33    39    47  -0.18200 -1.0 2.0
   53    33    39    47   0.29450  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.09700  1.0 1.0
   53    52    55    58   0.15600 -1.0 2.0
   53    52    55    58  -0.50800  1.0 3.0
   55    52    53    33   0.25700  1.0 1.0
   55    52    53    33   0.66200 -1.0 2.0
   55    52    53    33   0.04450  1.0 3.0
   55    52    53    54  -0.64400  1.0 1.0
   55    52    53    54   0.26850 -1.0 2.0
   55    58    61    62   0.15000  1.0 3.0
   55    58    61    63   0.56750  1.0 1.0
   55    58    61    63  -0.07550 -1.0 2.0
   55    58    61    63   0.20000  1.0 3.0
   55    58    61    77   0.56750  1.0 1.0
   55    58    61    77  -0.07550 -1.0 2.0
   55    58    61    77   0.20000  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    61   0.15000  1.0 3.0
   58    61   -63    51   0.34400  1.0 1.0
   58    61   -63    51   0.09450 -1.0 2.0
   58    61   -63    51   0.11100  1.0 3.0
   58    61    63    64   0.56750  1.0 1.0
   58    61    63    64  -0.07550 -1.0 2.0
   58    61    63    64   0.20000  1.0 3.0
   58    61    63    67   0.56750  1.0 1.0
   58    61    63    67  -0.07550 -1.0 2.0
   58    61    63    67   0.20000  1.0 3.0
   58    61    77    74   0.56750  1.0 1.0
   58    61    77    74  -0.07550 -1.0 2.0
   58    61    77    74   0.20000  1.0 3.0
   58    61    77    78   0.56750  1.0 1.0
   58    61    77    78  -0.07550 -1.0 2.0
   58    61    77    78   0.20000  1.0 3.0
   58    61    77    82   0.56750  1.0 1.0
   58    61    77    82  -0.07550 -1.0 2.0
   58    61    77    82   0.20000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    77   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    77   0.15000  1.0 3.0
   61    63    64    65   0.15000  1.0 3.0
   61    63    64    66   0.15000  1.0 3.0
   61    63    64    71   0.56750  1.0 1.0
   61    63    64    71  -0.07550 -1.0 2.0
   61    63    64    71   0.20000  1.0 3.0
   61    63    67    68   0.15000  1.0 3.0
   61    63    67    69   0.15000  1.0 3.0
   61    63    67    70   0.15000  1.0 3.0
   61    77    78    79   0.15000  1.0 3.0
   61    77    78    80   0.15000  1.0 3.0
   61    77    78    81   0.15000  1.0 3.0
   61    77    82    83   0.15000  1.0 3.0
   61    77    82    84   0.15000  1.0 3.0
   61    77    82    85   0.15000  1.0 3.0
   62    61    63    51   0.15000  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    67   0.15000  1.0 3.0
   62    61    77    74   0.15000  1.0 3.0
   62    61    77    78   0.15000  1.0 3.0
   62    61    77    82   0.15000  1.0 3.0
   63    51    52    53   7.00000 -1.0 2.0
   63    51   -52    55   7.00000 -1.0 2.0
   63    61    77    74   0.56750  1.0 1.0
   63    61    77    74  -0.07550 -1.0 2.0
   63    61    77    74   0.20000  1.0 3.0
   63    61    77    78   0.56750  1.0 1.0
   63    61    77    78  -0.07550 -1.0 2.0
   63    61    77    78   0.20000  1.0 3.0
   63    61    77    82   0.56750  1.0 1.0
   63    61    77    82  -0.07550 -1.0 2.0
   63    61    77    82   0.20000  1.0 3.0
   63    64    71    72   0.15000  1.0 3.0
   63    64    71    73   0.15000  1.0 3.0
   63    64   -71    74   0.56750  1.0 1.0
   63    64   -71    74  -0.07550 -1.0 2.0
   63    64   -71    74   0.20000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    69   0.15000  1.0 3.0
   64    63    67    70   0.15000  1.0 3.0
   64    71    74    75   0.15000  1.0 3.0
   64    71    74    76   0.15000  1.0 3.0
   64    71    74    77   0.56750  1.0 1.0
   64    71    74    77  -0.07550 -1.0 2.0
   64    71    74    77   0.20000  1.0 3.0
   65    64    71    72   0.15000  1.0 3.0
   65    64    71    73   0.15000  1.0 3.0
   65    64    71    74   0.15000  1.0 3.0
   66    64    71    72   0.15000  1.0 3.0
   66    64    71    73   0.15000  1.0 3.0
   66    64    71    74   0.15000  1.0 3.0
   71    74   -77    61   0.56750  1.0 1.0
   71    74   -77    61  -0.07550 -1.0 2.0
   71    74   -77    61   0.20000  1.0 3.0
   71    74    77    78   0.56750  1.0 1.0
   71    74    77    78  -0.07550 -1.0 2.0
   71    74    77    78   0.20000  1.0 3.0
   71    74    77    82   0.56750  1.0 1.0
   71    74    77    82  -0.07550 -1.0 2.0
   71    74    77    82   0.20000  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    77   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    76   0.15000  1.0 3.0
   73    71    74    77   0.15000  1.0 3.0
   74    77    78    79   0.15000  1.0 3.0
   74    77    78    80   0.15000  1.0 3.0
   74    77    78    81   0.15000  1.0 3.0
   74    77    82    83   0.15000  1.0 3.0
   74    77    82    84   0.15000  1.0 3.0
   74    77    82    85   0.15000  1.0 3.0
   75    74    77    61   0.15000  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    82   0.15000  1.0 3.0
   76    74    77    61   0.15000  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    82   0.15000  1.0 3.0
   77    61    63    51   0.34400  1.0 1.0
   77    61    63    51   0.09450 -1.0 2.0
   77    61    63    51   0.11100  1.0 3.0
   77    61   -63    64   0.56750  1.0 1.0
   77    61   -63    64  -0.07550 -1.0 2.0
   77    61   -63    64   0.20000  1.0 3.0
   77    61    63    67   0.56750  1.0 1.0
   77    61    63    67  -0.07550 -1.0 2.0
   77    61    63    67   0.20000  1.0 3.0
   78    77    82    83   0.15000  1.0 3.0
   78    77    82    84   0.15000  1.0 3.0
   78    77    82    85   0.15000  1.0 3.0
   82    77    78    79   0.15000  1.0 3.0
   82    77    78    80   0.15000  1.0 3.0
   82    77    78    81   0.15000  1.0 3.0
   67    63    64    65   0.15000  1.0 3.0
   67    63    64    66   0.15000  1.0 3.0
   67    63    64    71   0.56750  1.0 1.0
   67    63    64    71  -0.07550 -1.0 2.0
   67    63    64    71   0.20000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.65300  1.0 1.0
   39    33    37    41  -0.03850 -1.0 2.0
   39    33    37    41   0.33900  1.0 3.0
   39    33    53    52   0.65300  1.0 1.0
   39    33    53    52  -0.03850 -1.0 2.0
   39    33    53    52   0.33900  1.0 3.0
   39    33    53    54   0.30150 -1.0 2.0
   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
   40    39    47    48   0.15000  1.0 3.0
   40    39    47    49   0.15000  1.0 3.0
   40    39    47    50   0.15000  1.0 3.0
   43    39    47    48   0.15000  1.0 3.0
   43    39    47    49   0.15000  1.0 3.0
   43    39    47    50   0.15000  1.0 3.0
   47    39    43    44   0.15000  1.0 3.0
   47    39    43    45   0.15000  1.0 3.0
   47    39    43    46   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   37    51    41    42  10.50000 -1.0 2.0
   41    63    51    52   1.10000 -1.0 2.0
   53    55    52    51   1.10000 -1.0 2.0
   33    52    53    54  10.50000 -1.0 2.0
END
