* LIGAND DATABASE FILE (OPLS2005)
*
001      83    82    148    206     426
    1     0 S   NP   _N1_     1    30.70571    93.84241   -15.30451
    2     1 S   H    _HN1     2     1.03428    65.78625   -29.58512
    3     1 S   H    _H1_     3     1.03423   149.99061    47.56216
    4     1 S   H    _H2_     4     1.02775    53.93237   107.39182
    5     1 S   CT   _CA1     5     1.49834    97.83739  -141.07221
    6     5 S   HC   _HA1     6     1.09687   104.75379    16.14106
    7     5 S   CO3  _C1_     7     1.54370   111.07781  -100.08432
    8     7 S   O2Z  _O11     8     1.26590   113.95874    71.92914
    9     7 S   O2Z  _O12     9     1.26134   116.83491  -106.62787
   10     5 S   CT   _CB1    10     1.53110   107.10708   132.22159
   11    10 S   HC   HB11    11     1.09850   109.95108   -46.09710
   12    10 S   HC   HB12    12     1.09688   110.20078    70.20414
   13    10 S   CT   _CG1    13     1.52926   112.20950  -166.64248
   14    13 S   HC   HG11    14     1.09540   111.56229   -57.06565
   15    13 S   HC   HG12    15     1.09622   110.32919    61.70864
   16    13 S   C    _CD1    16     1.51451   111.01331  -178.31437
   17    16 S   O    _OE1    17     1.22853   121.86454  -102.30951
   18    16 S   N    _N2_    18     1.38303   112.84143    77.74437
   19    18 S   H    _HN2    19     1.01648   119.04185     2.12468
   20    18 S   CT1  _CA2    20     1.45825   123.02237   178.50669
   21    20 S   HC   _HA2    21     1.09731   108.72688    29.54366
   22    20 S   C    _C2_    22     1.52969   107.19430   -87.66483
   23    22 S   O    _O2_    23     1.22951   123.00139   -28.47605
   24    20 S   CT   _CB2    32     1.53266   112.00915   152.90346
   25    24 S   HC   HB21    33     1.09367   109.43949    54.61807
   26    24 S   HC   HB22    34     1.09537   110.61924   172.34483
   27    22 S   N    _N3_    24     1.38650   112.37376   154.24251
   28    27 S   H    _HN3    25     1.01507   119.66225     1.43204
   29    24 S   S    _SG2    35     1.82986   110.77148   -68.88842
   30    27 S   CT   _CA3    26     1.45448   122.89016   176.39169
   31    30 S   HC   HA31    27     1.09535   109.03831    29.09743
   32    30 S   HC   HA32    28     1.09487   107.19130   146.13932
   33    29 S   CT   _C5_    36     1.86074   102.37134   135.58785
   34    33 S   OM   _O33    37     1.31661   107.43319   174.15159
   35    30 S   CO3  _C3_    29     1.52978   113.29332   -94.15030
   36    35 S   O2Z  _O31    30     1.26394   115.55353   -40.32532
   37    35 S   O2Z  _O32    31     1.26377   114.89831   140.62816
   38    33 S   CT   _C4_    38     1.53685   110.21847    56.01881
   39    38 S   HC   _H4_    39     1.09565   112.62315   -68.23352
   40    38 S   HC   _H5_    40     1.09928   111.82271    52.36236
   41    38 S   HC   _H6_    41     1.09799   112.57628   171.34361
   42    33 S   S    _S1_    42     1.85361   108.18778   -66.44216
   43    42 S   CT   _C6_    43     1.82820   102.40223  -172.07699
   44    43 S   HC   _H7_    44     1.09456   109.29715    70.54878
   45    43 S   HC   _H8_    45     1.09282   109.62091   -48.85020
   46    43 S   CT   _C7_    46     1.52756   110.45693  -168.11398
   47    46 S   HC   _H9_    47     1.09597   109.02821   173.85899
   48    46 S   HC   _H10    48     1.09580   111.25827    55.60508
   49    46 S   N    _N4_    49     1.45241   113.24883   -65.52173
   50    49 S   H    _H11    50     1.01920   117.57198    87.19153
   51    49 S   C    _C8_    51     1.38533   123.05645   -91.25773
   52    51 S   O    _O34    52     1.22802   124.90037     2.94856
   53    51 S   CT   _C9_    53     1.51876   111.78937  -176.68111
   54    53 S   HC   _H12    54     1.09552   108.45092   -65.50157
   55    53 S   HC   _H13    55     1.09669   107.42949    51.28392
   56    53 S   CT   _C10    56     1.52338   113.04908   171.09080
   57    56 S   HC   _H14    57     1.09497   111.58041   -43.20914
   58    56 S   HC   _H15    58     1.09530   109.44621  -162.59106
   59    56 S   N    _N5_    59     1.45239   111.74137    76.92380
   60    59 S   H    _H16    60     1.01553   117.47413   -82.00731
   61    59 S   C    _C11    61     1.38504   122.62212    96.01621
   62    61 S   O    _O35    62     1.22985   124.44974     1.31090
   63    61 S   CT   _C12    63     1.53050   113.22505   179.81337
   64    63 S   HC   _H3_    64     1.09718   109.14679   -30.98327
   65    63 S   CT   _C13    65     1.55681   113.82261    92.07417
   66    63 S   OH   _O40    82     1.42637   107.15699  -146.41918
   67    66 S   HO   _H25    83     0.97253   107.56284    60.03379
   68    65 S   CT   _C14    66     1.54152   110.69805   -63.63039
   69    68 S   HC   _H17    67     1.09477   111.65591    67.87427
   70    68 S   HC   _H18    68     1.09578   111.06887   -52.70225
   71    68 S   HC   _H19    69     1.09582   111.47426  -172.27770
   72    65 S   CT   _C15    70     1.54675   108.76874   178.44884
   73    72 S   HC   _H20    71     1.09550   111.53733   -64.70757
   74    72 S   HC   _H21    72     1.09580   111.66031   175.12195
   75    72 S   HC   _H22    73     1.09602   110.93076    55.46664
   76    65 S   CT   _C16    74     1.54923   110.87751    58.65081
   77    76 S   HC   _H23    75     1.09517   110.93774    56.98285
   78    76 S   HC   _H24    76     1.09442   110.52257   -61.97016
   79    76 S   OS   _O36    77     1.42463   111.25176   175.94667
   80    79 S   P3   _P1_    78     1.64850   118.98779   127.74798
   81    80 S   O2Z  _O38    79     1.52341   103.83764   176.03187
   82    80 S   O2Z  _O39    80     1.52700   104.81015    55.82095
   83    80 S   O2Z  _O37    81     1.52541   104.30207   -63.77155
  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   8   5   4   3
  10   6   2   1   1   5   3   2   1   7   8   5   4   7   4   3
   7   3   8   4   8   5   4   7   4   3   7   3   9   4  16   6
  15   4   1  11   4   3   2   7   3   2   1   7   3   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    46    47    48    49  
   44    45    46    47    48    49    50    51  
   45    46    47    48    49  
   46    47    48    49  
   47    48    49    50    51    52    53  
   48    49    50    51  
   49    50    51  
   50    51    52    53    54    55    56  
   51    52    53  
   52    53    54    55    56    57    58    59  
   53    54    55    56  
   54    55    56    57    58    59    60    61  
   55    56    57    58    59  
   56    57    58    59  
   57    58    59    60    61    62    63  
   58    59    60    61  
   59    60    61  
   60    61    62    63    64    65    66  
   61    62    63  
   62    63    64    65    68    72    76    66    67  
   63    64    65    66  
   64    65    68    69    70    71    72    73    74    75    76    77    78    79    66    67  
   65    68    72    76    66    67  
   68    69    70    71    72    73    74    75    76    77    78    79    80    66    67  
   67    68    72    76  
    0  
   69    70    71    72    73    74    75    76    77    78    79  
   70    71    72    76  
   71    72    76  
   72    76  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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  -0.175000   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   4.2000   0.3000  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   43   3.5000   0.0660   0.047500   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   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   51   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   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   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   60   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   61   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.8500   0.1400  -0.760000   1.5900   1.4000   0.020110767  -0.896042159
   80   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   81   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   82   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   83   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
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   570.000  1.307
   33    38   268.000  1.529
   33    42   222.000  1.810
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   222.000  1.810
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   337.000  1.449
   49    50   434.000  1.010
   49    51   490.000  1.335
   51    52   570.000  1.229
   51    53   317.000  1.522
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   337.000  1.449
   59    60   434.000  1.010
   59    61   490.000  1.335
   61    62   570.000  1.229
   61    63   317.000  1.522
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    66   320.000  1.410
   65    68   268.000  1.529
   65    72   268.000  1.529
   65    76   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   320.000  1.410
   79    80   230.000  1.630
   80    81   525.000  1.516
   80    82   525.000  1.516
   80    83   525.000  1.516
   66    67   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    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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    42    75.00000  118.28000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    62.00000   98.90000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    85.00000  114.68000
   42    33    38    75.00000  111.63000
   42    43    44    35.00000  109.50000
   42    43    45    35.00000  109.50000
   42    43    46    75.00000  111.63000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    49    70.00000  110.72300
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    49    50    38.00000  118.40000
   46    49    51    50.00000  121.90000
   48    46    47    33.00000  107.80000
   49    46    47    35.00000  109.50000
   49    46    48    35.00000  109.50000
   49    51    52    80.00000  122.90000
   49    51    53    70.00000  116.60000
   51    49    50    35.00000  119.80000
   51    53    54    35.00000  109.50000
   51    53    55    35.00000  109.50000
   51    53    56    63.00000  111.10000
   53    51    52    80.00000  120.40000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    70.00000  110.72300
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    59    60    38.00000  118.40000
   56    59    61    50.00000  121.90000
   58    56    57    33.00000  107.80000
   59    56    57    35.00000  109.50000
   59    56    58    35.00000  109.50000
   59    61    62    80.00000  122.90000
   59    61    63    70.00000  116.60000
   61    59    60    35.00000  119.80000
   61    63    64    35.00000  109.50000
   61    63    65    63.00000  111.10000
   61    63    66    95.00000  109.52300
   63    61    62    80.00000  120.40000
   63    65    68    58.35000  112.70000
   63    65    72    58.35000  112.70000
   63    65    76    58.35000  112.70000
   63    66    67    55.00000  108.50000
   65    63    64    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    37.50000  110.70000
   65    72    73    37.50000  110.70000
   65    72    74    37.50000  110.70000
   65    72    75    37.50000  110.70000
   65    76    77    37.50000  110.70000
   65    76    78    37.50000  110.70000
   65    76    79    50.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    65    68    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    65    68    58.35000  112.70000
   76    65    72    58.35000  112.70000
   76    79    80    80.00000  112.68000
   78    76    77    33.00000  107.80000
   79    76    77    35.00000  109.50000
   79    76    78    35.00000  109.50000
   79    80    81   100.00000  107.00000
   79    80    82   100.00000  107.00000
   79    80    83   100.00000  107.00000
   82    80    81   140.00000  114.00000
   83    80    81   140.00000  114.00000
   83    80    82   140.00000  114.00000
   66    63    64    35.00000  109.50000
   66    63    65    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    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    42   0.08500  1.0 1.0
   24    29    33    42  -0.53150 -1.0 2.0
   24    29    33    42   0.48050  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   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.08500  1.0 1.0
   29    33    42    43  -0.53150 -1.0 2.0
   29    33    42    43   0.48050  1.0 3.0
   33    42    43    44   0.32350  1.0 3.0
   33    42    43    45   0.32350  1.0 3.0
   33    42    43    46   0.01700  1.0 1.0
   33    42    43    46  -0.23550 -1.0 2.0
   33    42    43    46   0.21350  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43   0.13850  1.0 1.0
   34    33    42    43  -1.34450 -1.0 2.0
   34    33    42    43   0.57400  1.0 3.0
   38    33    42    43   0.01700  1.0 1.0
   38    33    42    43  -0.23550 -1.0 2.0
   38    33    42    43   0.21350  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    43    46    47   0.15000  1.0 3.0
   42    43    46    48   0.15000  1.0 3.0
   42    43    46    49   0.56750  1.0 1.0
   42    43    46    49  -0.07550 -1.0 2.0
   42    43    46    49   0.20000  1.0 3.0
   43    46    49    50   0.00000  1.0 1.0
   43    46    49    51  -0.43950  1.0 1.0
   43    46    49    51  -0.08100 -1.0 2.0
   43    46    49    51   0.03350  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    49   0.15000  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    48   0.15000  1.0 3.0
   45    43    46    49   0.15000  1.0 3.0
   46    49    51    52   3.04450 -1.0 2.0
   46    49    51    53   1.49850  1.0 1.0
   46    49    51    53   1.53950 -1.0 2.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    51   0.00000  1.0 1.0
   48    46    49    50   0.00000  1.0 1.0
   48    46    49    51   0.00000  1.0 1.0
   49    51    53    54   0.00000  1.0 1.0
   49    51    53    55   0.00000  1.0 1.0
   49    51    53    56   1.39750  1.0 1.0
   49    51    53    56  -0.07950 -1.0 2.0
   49    51    53    56  -0.18750  1.0 3.0
   50    49    51    52   2.45000 -1.0 2.0
   50    49    51    53   2.45000 -1.0 2.0
   51    53    56    57  -0.11250  1.0 3.0
   51    53    56    58  -0.11250  1.0 3.0
   51    53    56    59  -2.10200  1.0 1.0
   51    53    56    59  -0.31600 -1.0 2.0
   51    53    56    59   0.13050  1.0 3.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    55   0.00000  1.0 1.0
   52    51    53    56   0.30150 -1.0 2.0
   53    56    59    60   0.00000  1.0 1.0
   53    56    59    61  -0.43950  1.0 1.0
   53    56    59    61  -0.08100 -1.0 2.0
   53    56    59    61   0.03350  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    59   0.15000  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    59   0.15000  1.0 3.0
   56    59    61    62   3.04450 -1.0 2.0
   56    59    61    63   1.49850  1.0 1.0
   56    59    61    63   1.53950 -1.0 2.0
   57    56    59    60   0.00000  1.0 1.0
   57    56    59    61   0.00000  1.0 1.0
   58    56    59    60   0.00000  1.0 1.0
   58    56    59    61   0.00000  1.0 1.0
   59    61    63    64   0.00000  1.0 1.0
   59    61    63    65   1.39750  1.0 1.0
   59    61    63    65  -0.07950 -1.0 2.0
   59    61    63    65  -0.18750  1.0 3.0
   59    61    63    66   0.00000  1.0 1.0
   60    59    61    62   2.45000 -1.0 2.0
   60    59    61    63   2.45000 -1.0 2.0
   61    63    65    68  -0.95700  1.0 1.0
   61    63    65    68  -0.18200 -1.0 2.0
   61    63    65    68   0.29450  1.0 3.0
   61    63    65    72  -0.95700  1.0 1.0
   61    63    65    72  -0.18200 -1.0 2.0
   61    63    65    72   0.29450  1.0 3.0
   61    63    65    76  -0.95700  1.0 1.0
   61    63    65    76  -0.18200 -1.0 2.0
   61    63    65    76   0.29450  1.0 3.0
   61    63    66    67   0.91850  1.0 1.0
   61    63    66    67   0.57950  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    65   0.30150 -1.0 2.0
   62    61    63    66   0.30150 -1.0 2.0
   63    65    68    69   0.15000  1.0 3.0
   63    65    68    70   0.15000  1.0 3.0
   63    65    68    71   0.15000  1.0 3.0
   63    65    72    73   0.15000  1.0 3.0
   63    65    72    74   0.15000  1.0 3.0
   63    65    72    75   0.15000  1.0 3.0
   63    65    76    77   0.15000  1.0 3.0
   63    65    76    78   0.15000  1.0 3.0
   63    65    76    79   0.62750  1.0 1.0
   63    65    76    79  -0.30950 -1.0 2.0
   63    65    76    79   0.27300  1.0 3.0
   64    63    65    68   0.15000  1.0 3.0
   64    63    65    72   0.15000  1.0 3.0
   64    63    65    76   0.15000  1.0 3.0
   64    63    66    67   0.19450  1.0 3.0
   65    63    66    67  -0.11600  1.0 1.0
   65    63    66    67  -0.09450 -1.0 2.0
   65    63    66    67   0.21250  1.0 3.0
   65    76    79    80  -2.65550  1.0 1.0
   65    76    79    80  -0.22350 -1.0 2.0
   65    76    79    80   0.24150  1.0 3.0
   68    65    72    73   0.15000  1.0 3.0
   68    65    72    74   0.15000  1.0 3.0
   68    65    72    75   0.15000  1.0 3.0
   68    65    76    77   0.15000  1.0 3.0
   68    65    76    78   0.15000  1.0 3.0
   68    65    76    79   0.62750  1.0 1.0
   68    65    76    79  -0.30950 -1.0 2.0
   68    65    76    79   0.27300  1.0 3.0
   72    65    68    69   0.15000  1.0 3.0
   72    65    68    70   0.15000  1.0 3.0
   72    65    68    71   0.15000  1.0 3.0
   72    65    76    77   0.15000  1.0 3.0
   72    65    76    78   0.15000  1.0 3.0
   72    65    76    79   0.62750  1.0 1.0
   72    65    76    79  -0.30950 -1.0 2.0
   72    65    76    79   0.27300  1.0 3.0
   76    65    68    69   0.15000  1.0 3.0
   76    65    68    70   0.15000  1.0 3.0
   76    65    68    71   0.15000  1.0 3.0
   76    65    72    73   0.15000  1.0 3.0
   76    65    72    74   0.15000  1.0 3.0
   76    65    72    75   0.15000  1.0 3.0
   76    79    80    81   0.00000  1.0 1.0
   76    79    80    82   0.00000  1.0 1.0
   76    79    80    83   0.00000  1.0 1.0
   77    76    79    80   0.03000  1.0 3.0
   78    76    79    80   0.03000  1.0 3.0
   66    63    65    68   0.86500  1.0 1.0
   66    63    65    68  -0.17500 -1.0 2.0
   66    63    65    68   0.20800  1.0 3.0
   66    63    65    72   0.86500  1.0 1.0
   66    63    65    72  -0.17500 -1.0 2.0
   66    63    65    72   0.20800  1.0 3.0
   66    63    65    76   0.86500  1.0 1.0
   66    63    65    76  -0.17500 -1.0 2.0
   66    63    65    76   0.20800  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
   50    51    49    46   1.00000 -1.0 2.0
   49    53    51    52  10.50000 -1.0 2.0
   60    61    59    56   1.00000 -1.0 2.0
   59    63    61    62  10.50000 -1.0 2.0
END
