* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    148    233     436
    1     0 S   NP   _N1_     1    28.94729    94.49102   -24.61275
    2     1 S   H    _HN1     2     1.02952    81.32476     0.55708
    3     1 S   H    _H1_     3     1.02832    27.02789   162.77552
    4     1 S   H    _H2_     4     1.02797   109.48873  -105.91608
    5     1 S   CT   _CA1     5     1.50127   129.45601   109.91989
    6     5 S   HC   _HA1     6     1.09566   105.25877    81.72959
    7     5 S   CO3  _C1_     7     1.53757   112.39206   -38.64870
    8     7 S   O2Z  _O11     8     1.26365   114.98731   -44.29675
    9     7 S   O2Z  _O12     9     1.26230   114.93460   134.83985
   10     5 S   CT   _CB1    10     1.52998   107.37665  -160.27345
   11    10 S   HC   HB11    11     1.09846   109.35095   -49.92202
   12    10 S   HC   HB12    12     1.09837   110.39480    66.52101
   13    10 S   CT   _CG1    13     1.53122   112.76433  -170.97215
   14    13 S   HC   HG11    14     1.09572   110.63076   -64.04113
   15    13 S   HC   HG12    15     1.09628   110.03287    55.49259
   16    13 S   C    _CD1    16     1.51610   111.71649   175.81493
   17    16 S   O    _OE1    17     1.22750   122.91675     2.20567
   18    16 S   N    _N2_    18     1.38587   112.34096  -178.12852
   19    18 S   H    _HN2    19     1.01582   119.12135     4.31148
   20    18 S   CT1  _CA2    20     1.46018   122.59102   179.14316
   21    20 S   HC   _HA2    21     1.09450   109.52662    22.16385
   22    20 S   C    _C2_    22     1.52844   105.60191   -93.93758
   23    22 S   O    _O2_    23     1.22934   122.75725   -97.32826
   24    20 S   CT   _CB2    32     1.53354   111.86515   145.31497
   25    24 S   HC   HB21    33     1.09630   110.18199    54.68491
   26    24 S   HC   HB22    34     1.09574   110.93605   172.71719
   27    22 S   N    _N3_    24     1.38551   112.76337    80.08410
   28    27 S   H    _HN3    25     1.01743   119.78772    -0.96469
   29    24 S   S    _SG2    35     1.82913   113.17881   -64.63151
   30    27 S   CT   _CA3    26     1.45305   122.53069  -178.71580
   31    30 S   HC   HA31    27     1.09567   107.24636   -64.56690
   32    30 S   HC   HA32    28     1.09552   108.22915    51.58353
   33    29 S   CT   _C20    36     1.82884    99.74322   -77.02948
   34    33 S   HC   _H19    37     1.09533   106.79310   -78.68818
   35    33 S   HC   _H20    38     1.08910   109.02577    37.24119
   36    30 S   CO3  _C3_    29     1.52814   113.93056   172.92953
   37    36 S   O2Z  _O31    30     1.26351   115.75773   -31.59661
   38    36 S   O2Z  _O32    31     1.26387   114.71488   148.66389
   39    33 S   CT   _C19    39     1.53787   114.04930   159.96449
   40    39 S   HC   _H5_    40     1.09663   108.73039  -176.32219
   41    39 S   CT   _C18    41     1.54087   116.36538   -52.70199
   42    41 S   HC   _H4_    42     1.09703   109.40791    71.64552
   43    39 S   OH   _O35    81     1.43503   108.64970    69.22818
   44    43 S   HO   _H21    82     0.97222   107.73887    58.18648
   45    41 S   CT   _C17    43     1.53981   115.25100   -52.83638
   46    45 S   HC   _H3_    44     1.09123   109.77747    50.76065
   47    41 S   OH   _O36    79     1.43587   107.96113  -174.59263
   48    47 S   HO   _H22    80     0.97351   106.75165  -173.94317
   49    45 S   CT   _C16    45     1.54179   114.37288   -74.84632
   50    49 S   HC   _H17    46     1.09328   111.75508    42.66917
   51    49 S   HC   _H18    47     1.09624   109.79556   -71.56030
   52    45 S   OH   _O37    77     1.43472   106.28190   165.40770
   53    52 S   HO   _H23    78     0.97331   106.93362  -165.07462
   54    49 S   NE   _N4_    48     1.48302   110.87513   167.50153
   55    54 S   CA   _C8_    49     1.43570   118.15308   -87.29434
   56    54 S   CM   _C12    60     1.42597   122.20642    87.49165
   57    55 S   CA   _C9_    50     1.40450   124.42863    -5.06674
   58    57 S   HA   _H10    51     1.08410   120.86617    -1.47737
   59    56 S   NNB  _N6_    61     1.38381   122.58848     3.86614
   60    59 S   H    _H15    62     1.01292   118.15532    -0.36262
   61    57 S   CA   _C10    52     1.40980   122.38449   178.15910
   62    59 S   C    _C15    63     1.37862   125.52228  -179.53860
   63    62 S   O    _O34    64     1.23079   122.52922   179.92338
   64    61 S   CA   _C5_    53     1.40410   119.65465     1.15301
   65    62 S   NNB  _N5_    65     1.38198   115.11306     0.12195
   66    65 S   H    _H14    66     1.01426   117.23140  -179.87180
   67    61 S   CT   _C11    73     1.50481   119.12969  -178.33446
   68    67 S   HC   _H11    74     1.09471   110.20706   117.98651
   69    67 S   HC   _H12    75     1.09449   110.39645  -120.81846
   70    67 S   HC   _H13    76     1.09522   111.69070    -1.36286
   71    64 S   CA   _C6_    54     1.39867   118.89937     0.05234
   72    71 S   HA   _H9_    55     1.08869   119.64432  -179.90721
   73    82 S   C    _C14    67     1.49035   116.76262  -178.66984
   74    73 S   O    _O33    68     1.22855   121.62419    -0.40638
   75    64 S   CT   _C4_    69     1.50286   121.68403  -179.75772
   76    75 S   HC   _H6_    70     1.09453   110.35783   -60.19101
   77    75 S   HC   _H7_    71     1.09449   110.34513    60.95957
   78    75 S   HC   _H8_    72     1.09513   111.60552  -179.53354
   79    55 S   CA   _C7_    56     1.41898   118.71347   174.67134
   80    79 S   NE   _N7_    57     1.40288   119.16651     0.95450
   81    80 S   H    _H16    58     1.01186   120.18449  -178.44091
   82    80 S   CM   _C13    59     1.37212   120.82073    -1.06735
  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
  10   5   4   2   1   1  11   6  13   7   3   1  11   7   3   1
  11   5   4   2   1  13  13  12  11   4   8   4  12   6   3  12
   5   3   5   2   1   1   9   3   5   2   4   2   1   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    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    45    47    43    44  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    45    46    49    52    47    48    43    44  
   41    42    45    47    43    44  
   42    45    46    49    50    51    54    52    53    47    48    43    44  
   45    46    49    52    47    48    43  
   44    45    47  
    0  
   46    49    50    51    54    55    56    52    53    47    48  
   49    50    51    54    52    53    47  
   48    49    52  
    0  
   50    51    54    55    57    79    82    56    59    52    53  
   51    54    55    56    52  
   54    55    56    52  
   53    54  
    0  
   55    57    58    61    71    79    80    82    56    59    60    62    73  
   57    58    61    64    71    72    79    80    81    82    56    59    67  
   59    60    62    63    65    73    74    57    79    80    81    82  
   58    61    64    71    79    80    75    67    68    69    70  
   61    64    79    67  
   60    62    63    65    66    73    80    82  
   62    63    65    82  
   64    71    72    79    75    76    77    78    67    68    69    70  
   63    65    66    73    74    82  
   65    66    73  
   71    72    79    80    75    76    77    78    67    68    69    70  
   66    73    74    80    82  
   73    74    82  
   68    69    70    71    75  
   69    70  
   70  
    0  
   72    79    80    81    82    75    76    77    78  
   79    80    75  
   74    79    80    81    82  
   80    82  
   76    77    78    79  
   77    78  
   78  
    0  
   80    81    82  
   81    82  
   82  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.2500   0.1700  -0.557800   1.9050   1.6860   0.051222218  -2.220205820
   55   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5000   0.0800   0.302500   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.2500   0.1700  -0.600000   1.8100   1.6000   0.054801302  -1.445846770
   60   0.5000   0.0300   0.410000   1.5900   1.4000   0.030040813  -0.651083722
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.400000   1.5250   1.4250   0.001000000  -1.480495490
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.2500   0.1700  -0.510000   1.8100   1.6000   0.054801302  -1.445846770
   66   0.5000   0.0300   0.360000   1.5900   1.4000   0.030040813  -0.651083722
   67   3.5000   0.0660  -0.065000   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   3.5500   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   3.7500   0.1050   0.450000   1.9250   1.7000   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.420000   1.5250   1.4250   0.001000000  -1.480495490
   75   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.2500   0.1700  -0.676200   1.8650   1.6500   0.051222218  -2.220205820
   81   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5000   0.0800   0.152500   2.0020   1.7750   0.023028004  -0.852763146
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   268.000  1.529
   39    43   320.000  1.410
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    47   320.000  1.410
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    52   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   382.000  1.448
   54    55   481.000  1.340
   54    56   425.000  1.378
   55    57   469.000  1.400
   55    79   469.000  1.400
   57    58   367.000  1.080
   57    61   469.000  1.400
   61    64   469.000  1.400
   61    67   317.000  1.510
   64    71   469.000  1.400
   64    75   317.000  1.510
   71    72   367.000  1.080
   71    79   469.000  1.400
   79    80   481.000  1.340
   80    81   434.000  1.010
   80    82   425.000  1.378
   82    56   549.000  1.340
   82    73   410.000  1.444
   56    59   448.000  1.365
   59    60   434.000  1.010
   59    62   418.000  1.388
   62    63   570.000  1.229
   62    65   418.000  1.388
   65    66   434.000  1.010
   65    73   418.000  1.388
   73    74   570.000  1.229
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   52    53   553.000  0.945
   47    48   553.000  0.945
   43    44   553.000  0.945
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    58.35000  112.70000
   33    39    43    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    45    58.35000  112.70000
   39    41    47    50.00000  109.50000
   39    43    44    55.00000  108.50000
   41    39    40    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    49    58.35000  112.70000
   41    45    52    50.00000  109.50000
   41    47    48    55.00000  108.50000
   45    41    42    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    54    80.00000  111.61500
   45    52    53    55.00000  108.50000
   49    45    46    37.50000  110.70000
   49    54    55    50.00000  120.00000
   49    54    56    50.00000  121.00000
   51    49    50    33.00000  107.80000
   54    49    50    35.00000  109.50000
   54    49    51    35.00000  109.50000
   54    55    57    70.00000  120.10000
   54    55    79    70.00000  120.10000
   54    56    82    70.00000  124.03900
   54    56    59    80.00000  120.00000
   55    57    58    35.00000  120.00000
   55    57    61    63.00000  120.00000
   55    79    71    63.00000  120.00000
   55    79    80    70.00000  120.10000
   57    61    64    63.00000  120.00000
   57    61    67    70.00000  120.00000
   61    57    58    35.00000  120.00000
   61    64    71    63.00000  120.00000
   61    64    75    70.00000  120.00000
   61    67    68    35.00000  109.50000
   61    67    69    35.00000  109.50000
   61    67    70    35.00000  109.50000
   64    71    72    35.00000  120.00000
   64    71    79    63.00000  120.00000
   64    75    76    35.00000  109.50000
   64    75    77    35.00000  109.50000
   64    75    78    35.00000  109.50000
   71    79    80    70.00000  120.10000
   79    55    57    63.00000  120.00000
   79    71    72    35.00000  120.00000
   79    80    81    35.00000  113.50000
   79    80    82    75.00000  121.78000
   80    82    56    70.00000  124.03900
   80    82    73    70.00000  117.92000
   82    80    81    35.00000  114.50000
   82    56    59    70.00000  121.20000
   82    73    65    70.00000  114.10000
   82    73    74    80.00000  125.30000
   56    54    55    75.00000  121.78000
   56    59    60    35.00000  119.20000
   56    59    62    70.00000  121.60000
   59    62    63    80.00000  120.60000
   59    62    65    70.00000  118.60000
   62    59    60    35.00000  116.80000
   62    65    66    35.00000  116.80000
   62    65    73    70.00000  126.40000
   65    62    63    80.00000  120.60000
   65    73    74    80.00000  120.60000
   73    82    56    70.00000  118.70000
   73    65    66    35.00000  116.80000
   75    64    71    70.00000  120.00000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   67    61    64    70.00000  120.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   52    45    46    35.00000  109.50000
   52    45    49    50.00000  109.50000
   47    41    42    35.00000  109.50000
   47    41    45    50.00000  109.50000
   43    39    40    35.00000  109.50000
   43    39    41    50.00000  109.50000
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   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    45   0.56750  1.0 1.0
   33    39    41    45  -0.07550 -1.0 2.0
   33    39    41    45   0.20000  1.0 3.0
   33    39    41    47   0.86500  1.0 1.0
   33    39    41    47  -0.17500 -1.0 2.0
   33    39    41    47   0.20800  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    43   0.23400  1.0 3.0
   39    41    45    46   0.15000  1.0 3.0
   39    41    45    49   0.56750  1.0 1.0
   39    41    45    49  -0.07550 -1.0 2.0
   39    41    45    49   0.20000  1.0 3.0
   39    41    45    52   0.86500  1.0 1.0
   39    41    45    52  -0.17500 -1.0 2.0
   39    41    45    52   0.20800  1.0 3.0
   39    41    47    48  -0.11600  1.0 1.0
   39    41    47    48  -0.09450 -1.0 2.0
   39    41    47    48   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    45   0.15000  1.0 3.0
   40    39    41    47   0.23400  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   41    39    43    44  -0.11600  1.0 1.0
   41    39    43    44  -0.09450 -1.0 2.0
   41    39    43    44   0.21250  1.0 3.0
   41    45    49    50   0.15000  1.0 3.0
   41    45    49    51   0.15000  1.0 3.0
   41    45    49    54   1.26750  1.0 1.0
   41    45    49    54  -0.00950 -1.0 2.0
   41    45    49    54   0.30600  1.0 3.0
   41    45    52    53  -0.11600  1.0 1.0
   41    45    52    53  -0.09450 -1.0 2.0
   41    45    52    53   0.21250  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    49   0.15000  1.0 3.0
   42    41    45    52   0.23400  1.0 3.0
   42    41    47    48   0.19450  1.0 3.0
   45    41    47    48  -0.11600  1.0 1.0
   45    41    47    48  -0.09450 -1.0 2.0
   45    41    47    48   0.21250  1.0 3.0
   45    49    54    55  -0.12500  1.0 1.0
   45    49    54    55  -0.12500 -1.0 2.0
   45    49    54    55   0.25000  1.0 3.0
   45    49    54    56   0.25450  1.0 1.0
   45    49    54    56  -0.61700 -1.0 2.0
   45    49    54    56  -0.23550  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    51   0.15000  1.0 3.0
   46    45    49    54   0.22950  1.0 3.0
   46    45    52    53   0.19450  1.0 3.0
   49    45    52    53  -0.11600  1.0 1.0
   49    45    52    53  -0.09450 -1.0 2.0
   49    45    52    53   0.21250  1.0 3.0
   49    54    55    57  -1.00000  1.0 1.0
   49    54    55    57   1.25000 -1.0 2.0
   49    54    55    79  -1.00000  1.0 1.0
   49    54    55    79   1.25000 -1.0 2.0
   49    54    56    82  -0.54700  1.0 1.0
   49    54    56    82   1.23000 -1.0 2.0
   49    54    56    59   1.00000 -1.0 2.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    56   0.00000  1.0 1.0
   51    49    54    55   0.00000  1.0 1.0
   51    49    54    56   0.00000  1.0 1.0
   54    55    57    58   3.62500 -1.0 2.0
   54    55    57    61   3.62500 -1.0 2.0
   54    55    79    71   3.62500 -1.0 2.0
   54    55    79    80   3.62500 -1.0 2.0
   54    56    59    60   1.00000 -1.0 2.0
   54    56    59    62  -0.56400  1.0 1.0
   54    56    59    62   0.77500 -1.0 2.0
   54    56    59    62   0.18700  1.0 3.0
   55    54    56    82  -0.54500  1.0 1.0
   55    54    56    82   1.14150 -1.0 2.0
   55    54    56    59   1.00000 -1.0 2.0
   55    57    61    64   3.62500 -1.0 2.0
   55    57    61    67   3.62500 -1.0 2.0
   55    79    80    81   1.00000 -1.0 2.0
   55    79   -80    82   0.70250  1.0 1.0
   55    79   -80    82   1.56150 -1.0 2.0
   57    55    79    71   3.62500 -1.0 2.0
   57    55    79    80   3.62500 -1.0 2.0
   57    61   -64    71   3.62500 -1.0 2.0
   57    61    64    75   3.62500 -1.0 2.0
   57    61    67    68   0.00000  1.0 1.0
   57    61    67    69   0.00000  1.0 1.0
   57    61    67    70   0.00000  1.0 1.0
   58    57    61    64   3.62500 -1.0 2.0
   58    57    61    67   3.62500 -1.0 2.0
   61    64    71    72   3.62500 -1.0 2.0
   61    64    71    79   3.62500 -1.0 2.0
   61    64    75    76   0.00000  1.0 1.0
   61    64    75    77   0.00000  1.0 1.0
   61    64    75    78   0.00000  1.0 1.0
   64    61    67    68   0.00000  1.0 1.0
   64    61    67    69   0.00000  1.0 1.0
   64    61    67    70   0.00000  1.0 1.0
   64    71   -79    55   3.62500 -1.0 2.0
   64    71    79    80   3.62500 -1.0 2.0
   71    64    75    76   0.00000  1.0 1.0
   71    64    75    77   0.00000  1.0 1.0
   71    64    75    78   0.00000  1.0 1.0
   71    79    80    81   1.00000 -1.0 2.0
   71    79    80    82   0.70250  1.0 1.0
   71    79    80    82   1.56150 -1.0 2.0
   72    71    79    55   3.62500 -1.0 2.0
   72    71    79    80   3.62500 -1.0 2.0
   79    55    57    58   3.62500 -1.0 2.0
   79    55   -57    61   3.62500 -1.0 2.0
   79    80    82    56  -0.54500  1.0 1.0
   79    80    82    56   1.14150 -1.0 2.0
   79    80    82    73   1.00000 -1.0 2.0
   80    82   -56    54   7.00000 -1.0 2.0
   80    82    56    59   7.00000 -1.0 2.0
   80    82    73    65   1.50000 -1.0 2.0
   80    82    73    74  -0.52200  1.0 1.0
   80    82    73    74   0.82950 -1.0 2.0
   81    80    82    56   1.00000 -1.0 2.0
   81    80    82    73   1.00000 -1.0 2.0
   82    56    59    60   1.52500 -1.0 2.0
   82    56    59    62   3.62500 -1.0 2.0
   56    54    55    57   0.70250  1.0 1.0
   56    54    55    57   1.56150 -1.0 2.0
   56    54   -55    79   0.70250  1.0 1.0
   56    54   -55    79   1.56150 -1.0 2.0
   56    82    73    65   1.50000 -1.0 2.0
   56    82    73    74   1.00000 -1.0 2.0
   56    59    62    63   3.04450 -1.0 2.0
   56    59   -62    65   2.32500 -1.0 2.0
   59    62    65    66   2.32500 -1.0 2.0
   59    62    65    73   2.32500 -1.0 2.0
   60    59    62    63   2.45000 -1.0 2.0
   60    59    62    65   2.32500 -1.0 2.0
   62    65   -73    82   7.00000 -1.0 2.0
   62    65    73    74   3.04450 -1.0 2.0
   63    62    65    66   2.45000 -1.0 2.0
   63    62    65    73   3.04450 -1.0 2.0
   66    65    73    82   1.52500 -1.0 2.0
   66    65    73    74   2.45000 -1.0 2.0
   73    82    56    54   7.00000 -1.0 2.0
   73    82   -56    59   7.00000 -1.0 2.0
   75    64    71    72   3.62500 -1.0 2.0
   75    64    71    79   3.62500 -1.0 2.0
   67    61    64    71   3.62500 -1.0 2.0
   67    61    64    75   3.62500 -1.0 2.0
   52    45    49    50   0.23400  1.0 3.0
   52    45    49    51   0.23400  1.0 3.0
   52    45    49    54   4.07950  1.0 1.0
   52    45    49    54  -0.26450 -1.0 2.0
   52    45    49    54  -0.12150  1.0 3.0
   47    41    45    46   0.23400  1.0 3.0
   47    41    45    49   0.86500  1.0 1.0
   47    41    45    49  -0.17500 -1.0 2.0
   47    41    45    49   0.20800  1.0 3.0
   47    41    45    52   3.75450  1.0 1.0
   43    39    41    42   0.23400  1.0 3.0
   43    39    41    45   0.86500  1.0 1.0
   43    39    41    45  -0.17500 -1.0 2.0
   43    39    41    45   0.20800  1.0 3.0
   43    39    41    47   3.75450  1.0 1.0
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
   37    30    36    38  10.50000 -1.0 2.0
   55    56    54    49   1.00000 -1.0 2.0
   57    79    55    54   4.00000 -1.0 2.0
   61    58    57    55   1.10000 -1.0 2.0
   64    67    61    57   4.00000 -1.0 2.0
   71    75    64    61   4.00000 -1.0 2.0
   79    72    71    64   1.10000 -1.0 2.0
   71    80    79    55   4.00000 -1.0 2.0
   81    82    80    79   1.00000 -1.0 2.0
   80    73    82    56   1.10000 -1.0 2.0
   54    59    56    82   1.10000 -1.0 2.0
   60    62    59    56   1.00000 -1.0 2.0
   59    65    62    63  10.50000 -1.0 2.0
   66    62    65    73   1.00000 -1.0 2.0
   82    65    73    74  10.50000 -1.0 2.0
END
