* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    149    239     447
    1     0 S   NP   _N1_     1    28.71561    94.88029   -21.03115
    2     1 S   H    _HN1     2     1.02960    89.02015    27.75677
    3     1 S   H    _H1_     3     1.02836    32.72731   152.43715
    4     1 S   H    _H2_     4     1.02778    88.79039   -80.59401
    5     1 S   CT   _CA1     5     1.50113   143.47951   151.98616
    6     5 S   HC   _HA1     6     1.09575   105.24500    59.42562
    7     5 S   CO3  _C1_     7     1.53794   112.37490   -60.80507
    8     7 S   O2Z  _O11     8     1.26357   115.00771   -44.36392
    9     7 S   O2Z  _O12     9     1.26239   114.91674   134.83847
   10     5 S   CT   _CB1    10     1.53096   107.42989   177.33406
   11    10 S   HC   HB11    11     1.09823   109.35341   -50.91069
   12    10 S   HC   HB12    12     1.09821   110.40603    65.64092
   13    10 S   CT   _CG1    13     1.53003   112.66552  -172.02770
   14    13 S   HC   HG11    14     1.09600   110.40699   -63.14286
   15    13 S   HC   HG12    15     1.09647   110.02817    56.08198
   16    13 S   C    _CD1    16     1.51807   112.31334   176.43872
   17    16 S   O    _OE1    17     1.22721   123.27383    -3.75885
   18    16 S   N    _N2_    18     1.38632   111.62358   176.41887
   19    18 S   H    _HN2    19     1.01587   119.01383     1.35350
   20    18 S   CT1  _CA2    20     1.46215   123.38437  -179.19254
   21    20 S   HC   _HA2    21     1.09738   109.39387    -9.85780
   22    20 S   C    _C2_    22     1.53447   108.35372  -125.49235
   23    22 S   O    _O2_    23     1.23018   122.20934  -145.72917
   24    20 S   CT   _CB2    32     1.53622   111.55277   112.17675
   25    24 S   HC   HB21    33     1.09513   109.16689    55.12070
   26    24 S   HC   HB22    34     1.09339   109.83138   174.11607
   27    22 S   N    _N3_    24     1.38493   113.40383    41.61576
   28    27 S   H    _HN3    25     1.01522   118.93174    -0.64163
   29    24 S   S    _SG2    35     1.82782   111.33216   -64.91560
   30    27 S   CT   _CA3    26     1.45458   123.49921   175.07598
   31    30 S   HC   HA31    27     1.09519   109.29559    23.19716
   32    30 S   HC   HA32    28     1.09496   107.10586   140.22154
   33    29 S   CT   _C12    36     1.85557   103.29151  -170.74592
   34    30 S   CO3  _C3_    29     1.52926   113.08211  -100.31434
   35    34 S   O2Z  _O31    30     1.26403   115.39794   -44.19901
   36    34 S   O2Z  _O32    31     1.26353   114.98259   136.71297
   37    33 S   CT   _C11    37     1.55624   107.63583  -161.56304
   38    37 S   HC   _H16    38     1.09853   110.61103   -52.15489
   39    37 S   HC   _H17    39     1.09901   106.56372  -165.08157
   40    33 S   CT   _C13    66     1.54381   108.69122    75.87695
   41    40 S   HC   _H5_    67     1.09703   111.41778   -43.36872
   42    37 S   CT   _C10    40     1.57521   116.84756    74.46618
   43    40 S   CT   _C17    68     1.52311   116.68258    82.17596
   44    43 S   HC   _H20    69     1.09489   112.23890    65.84182
   45    43 S   HC   _H21    70     1.09409   111.41180   -56.34581
   46    43 S   HC   _H22    71     1.09601   110.11902  -175.67383
   47    42 S   CT   _C9_    41     1.56383   110.54381    17.21605
   48    47 S   HC   _H4_    42     1.09770   109.26194   -77.10044
   49    42 S   CT   _C18    72     1.55044   109.32539  -102.14047
   50    49 S   HC   _H23    73     1.09397   112.05885  -172.14887
   51    49 S   HC   _H24    74     1.09374   111.82428    68.21071
   52    49 S   HC   _H25    75     1.09507   111.72733   -51.52484
   53    47 S   CT   _C8_    43     1.53788   113.44328   166.19892
   54    53 S   HC   _H14    44     1.09683   109.99034  -174.15662
   55    53 S   HC   _H15    45     1.09733   109.06063    70.15963
   56    47 S   CT   _C16    58     1.53243   110.62760    39.92992
   57    56 S   HC   _H18    59     1.09669   110.71998    61.05564
   58    56 S   HC   _H19    60     1.09782   109.74325   176.72153
   59    53 S   CT   _C7_    46     1.51967   113.51655   -51.30293
   60    59 S   HC   _H12    47     1.09612   109.49134   176.34275
   61    59 S   HC   _H13    48     1.09615   110.16979   -66.73569
   62    33 S   CT   _C15    61     1.53330   116.96589   -37.88879
   63    62 S   HC   _H6_    62     1.09299   113.10982    35.72796
   64    59 S   CT   _C6_    49     1.52038   111.15921    55.28098
   65    64 S   HC   _H10    50     1.09641   109.66297    66.71504
   66    64 S   HC   _H11    51     1.09721   108.67887  -177.53248
   67    62 S   OS   _O34    63     1.44476   104.91544   149.67982
   68    42 S   CT   _C5_    52     1.57967   108.00309   138.34662
   69    68 S   HC   _H3_    53     1.09939   107.52716   -52.56733
   70    67 S   CO4  _C14    64     1.36475   110.54947   -19.91684
   71    70 S   O    _O33    65     1.22099   124.20559  -179.42257
   72    68 S   CT   _C4_    54     1.53645   113.96584    64.90544
   73    72 S   HC   _H7_    55     1.09458   111.79726    68.88407
   74    72 S   HC   _H8_    56     1.09373   111.85662   -52.77681
   75    72 S   HC   _H9_    57     1.09589   110.21926  -171.94889
  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  13   5   4   3
  21   2   1   1  22   7   6  12   8  23   7   3   2   1  21  10
   9   3   2   1  13   6   5   8   4   3   8   5   4   4   2   8
   4   3   2   5   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    62    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    56    62    63    67    70    40    41    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    47    68    56    57    58    62    63    67    70    71    40    41    43    44    45    46    49  
   35    36  
   36  
    0  
   38    39    42    47    48    53    64    68    69    72    56    62    63    67    70    40    41    43    49    50    51    52  
   39    42    47    68    62    40    49  
   42    47    68    62    40    49  
   41    43    44    45    46    42    56    62    63    67    70    71  
   43    44    45    46    62    67    70    71  
   47    48    53    54    55    59    64    65    66    68    69    72    73    74    75    56    57    58    62    49    50    51    52  
   44    45    46    62    67    70    71  
   45    46    70  
   46    70  
   70  
   48    53    54    55    59    60    61    64    68    69    72    56    57    58    62    63    67    49    50    51    52  
   53    54    55    59    68    56    57    58    62    49  
   50    51    52    53    56    64    68    69    72  
   51    52    68  
   52    68  
   68  
   54    55    59    60    61    64    65    66    68    56    57    58    62  
   55    59    60    61    64    56  
   59    60    61    64    56  
   57    58    62    63    67    70    59    68  
   58    62    63    67  
   62    63    67  
   60    61    64    65    66    68    69    72  
   61    64    65    66    68  
   64    65    66    68  
   63    67    70    71  
   67    70  
   65    66    68    69    72    73    74    75  
   66    68    69    72  
   68    69    72  
   70    71  
   69    72    73    74    75  
   72    73    74    75  
   71  
    0  
   73    74    75  
   74    75  
   75  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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
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   268.000  1.529
   33    62   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   268.000  1.529
   42    47   268.000  1.529
   42    68   268.000  1.529
   42    49   268.000  1.529
   47    48   340.000  1.090
   47    53   268.000  1.529
   47    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   268.000  1.529
   68    69   340.000  1.090
   68    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   268.000  1.529
   62    63   340.000  1.090
   62    67   320.000  1.410
   67    70   214.000  1.327
   70    71   570.000  1.229
   70    40   317.000  1.522
   40    41   340.000  1.090
   40    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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  111.63000
   29    33    62    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    62    56    58.35000  112.70000
   33    62    63    37.50000  110.70000
   33    62    67    50.00000  109.50000
   33    40    70    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    43    58.35000  112.70000
   37    42    47    58.35000  112.70000
   37    42    68    58.35000  112.70000
   37    42    49    58.35000  112.70000
   39    37    38    33.00000  107.80000
   42    37    38    37.50000  110.70000
   42    37    39    37.50000  110.70000
   42    47    48    37.50000  110.70000
   42    47    53    58.35000  112.70000
   42    47    56    58.35000  112.70000
   42    68    64    58.35000  112.70000
   42    68    69    37.50000  110.70000
   42    68    72    58.35000  112.70000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    52    37.50000  110.70000
   47    53    54    37.50000  110.70000
   47    53    55    37.50000  110.70000
   47    53    59    58.35000  112.70000
   47    56    57    37.50000  110.70000
   47    56    58    37.50000  110.70000
   47    56    62    58.35000  112.70000
   53    47    48    37.50000  110.70000
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    59    64    58.35000  112.70000
   55    53    54    33.00000  107.80000
   59    53    54    37.50000  110.70000
   59    53    55    37.50000  110.70000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    68    58.35000  112.70000
   61    59    60    33.00000  107.80000
   64    59    60    37.50000  110.70000
   64    59    61    37.50000  110.70000
   64    68    69    37.50000  110.70000
   64    68    72    58.35000  112.70000
   66    64    65    33.00000  107.80000
   68    42    47    58.35000  112.70000
   68    64    65    37.50000  110.70000
   68    64    66    37.50000  110.70000
   68    72    73    37.50000  110.70000
   68    72    74    37.50000  110.70000
   68    72    75    37.50000  110.70000
   72    68    69    37.50000  110.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   56    47    48    37.50000  110.70000
   56    47    53    58.35000  112.70000
   56    62    63    37.50000  110.70000
   56    62    67    50.00000  109.50000
   58    56    57    33.00000  107.80000
   62    33    37    58.35000  112.70000
   62    56    57    37.50000  110.70000
   62    56    58    37.50000  110.70000
   62    67    70    83.00000  116.90000
   67    62    63    35.00000  109.50000
   67    70    71    83.00000  123.40000
   67    70    40    81.00000  111.40000
   70    40    41    35.00000  109.50000
   70    40    43    63.00000  111.10000
   40    33    37    58.35000  112.70000
   40    33    62    58.35000  112.70000
   40    70    71    80.00000  120.40000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   43    40    41    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
   49    42    47    58.35000  112.70000
   49    42    68    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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    62   0.01700  1.0 1.0
   24    29    33    62  -0.23550 -1.0 2.0
   24    29    33    62   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    62    56   0.44750  1.0 1.0
   29    33    62    56  -0.17800 -1.0 2.0
   29    33    62    56   0.20200  1.0 3.0
   29    33    62    63   0.15000  1.0 3.0
   29    33    62    67   0.56750  1.0 1.0
   29    33    62    67  -0.07550 -1.0 2.0
   29    33    62    67   0.20000  1.0 3.0
   29    33    40    70   0.56750  1.0 1.0
   29    33    40    70  -0.07550 -1.0 2.0
   29    33    40    70   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   33    37    42    47   0.56750  1.0 1.0
   33    37    42    47  -0.07550 -1.0 2.0
   33    37    42    47   0.20000  1.0 3.0
   33    37    42    68   0.56750  1.0 1.0
   33    37    42    68  -0.07550 -1.0 2.0
   33    37    42    68   0.20000  1.0 3.0
   33    37    42    49   0.56750  1.0 1.0
   33    37    42    49  -0.07550 -1.0 2.0
   33    37    42    49   0.20000  1.0 3.0
   33    62   -67    70  -0.25900  1.0 1.0
   33    62   -67    70  -0.47000 -1.0 2.0
   33    62   -67    70   0.11750  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    46   0.15000  1.0 3.0
   37    33    62    56   0.56750  1.0 1.0
   37    33    62    56  -0.07550 -1.0 2.0
   37    33    62    56   0.20000  1.0 3.0
   37    33    62    63   0.15000  1.0 3.0
   37    33    62    67   0.62750  1.0 1.0
   37    33    62    67  -0.30950 -1.0 2.0
   37    33    62    67   0.27300  1.0 3.0
   37    33    40    70  -0.95700  1.0 1.0
   37    33    40    70  -0.18200 -1.0 2.0
   37    33    40    70   0.29450  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    43   0.56750  1.0 1.0
   37    33    40    43  -0.07550 -1.0 2.0
   37    33    40    43   0.20000  1.0 3.0
   37    42    47    48   0.15000  1.0 3.0
   37    42    47    53   0.56750  1.0 1.0
   37    42    47    53  -0.07550 -1.0 2.0
   37    42    47    53   0.20000  1.0 3.0
   37    42   -47    56   0.56750  1.0 1.0
   37    42   -47    56  -0.07550 -1.0 2.0
   37    42   -47    56   0.20000  1.0 3.0
   37    42    68    64   0.56750  1.0 1.0
   37    42    68    64  -0.07550 -1.0 2.0
   37    42    68    64   0.20000  1.0 3.0
   37    42    68    69   0.15000  1.0 3.0
   37    42    68    72   0.56750  1.0 1.0
   37    42    68    72  -0.07550 -1.0 2.0
   37    42    68    72   0.20000  1.0 3.0
   37    42    49    50   0.15000  1.0 3.0
   37    42    49    51   0.15000  1.0 3.0
   37    42    49    52   0.15000  1.0 3.0
   38    37    42    47   0.15000  1.0 3.0
   38    37    42    68   0.15000  1.0 3.0
   38    37    42    49   0.15000  1.0 3.0
   39    37    42    47   0.15000  1.0 3.0
   39    37    42    68   0.15000  1.0 3.0
   39    37    42    49   0.15000  1.0 3.0
   42    47    53    54   0.15000  1.0 3.0
   42    47    53    55   0.15000  1.0 3.0
   42    47    53    59   0.56750  1.0 1.0
   42    47    53    59  -0.07550 -1.0 2.0
   42    47    53    59   0.20000  1.0 3.0
   42    47    56    57   0.15000  1.0 3.0
   42    47    56    58   0.15000  1.0 3.0
   42    47    56    62   0.56750  1.0 1.0
   42    47    56    62  -0.07550 -1.0 2.0
   42    47    56    62   0.20000  1.0 3.0
   42    68    72    73   0.15000  1.0 3.0
   42    68    72    74   0.15000  1.0 3.0
   42    68    72    75   0.15000  1.0 3.0
   47    42    68    64   0.56750  1.0 1.0
   47    42    68    64  -0.07550 -1.0 2.0
   47    42    68    64   0.20000  1.0 3.0
   47    42    68    69   0.15000  1.0 3.0
   47    42    68    72   0.56750  1.0 1.0
   47    42    68    72  -0.07550 -1.0 2.0
   47    42    68    72   0.20000  1.0 3.0
   47    42    49    50   0.15000  1.0 3.0
   47    42    49    51   0.15000  1.0 3.0
   47    42    49    52   0.15000  1.0 3.0
   47    53    59    60   0.15000  1.0 3.0
   47    53    59    61   0.15000  1.0 3.0
   47    53   -59    64   0.56750  1.0 1.0
   47    53   -59    64  -0.07550 -1.0 2.0
   47    53   -59    64   0.20000  1.0 3.0
   47    56   -62    33   0.56750  1.0 1.0
   47    56   -62    33  -0.07550 -1.0 2.0
   47    56   -62    33   0.20000  1.0 3.0
   47    56    62    63   0.15000  1.0 3.0
   47    56    62    67   0.62750  1.0 1.0
   47    56    62    67  -0.30950 -1.0 2.0
   47    56    62    67   0.27300  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    55   0.15000  1.0 3.0
   48    47    53    59   0.15000  1.0 3.0
   48    47    56    57   0.15000  1.0 3.0
   48    47    56    58   0.15000  1.0 3.0
   48    47    56    62   0.15000  1.0 3.0
   53    47    56    57   0.15000  1.0 3.0
   53    47    56    58   0.15000  1.0 3.0
   53    47    56    62   0.56750  1.0 1.0
   53    47    56    62  -0.07550 -1.0 2.0
   53    47    56    62   0.20000  1.0 3.0
   53    59    64    65   0.15000  1.0 3.0
   53    59    64    66   0.15000  1.0 3.0
   53    59    64    68   0.56750  1.0 1.0
   53    59    64    68  -0.07550 -1.0 2.0
   53    59    64    68   0.20000  1.0 3.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    61   0.15000  1.0 3.0
   54    53    59    64   0.15000  1.0 3.0
   55    53    59    60   0.15000  1.0 3.0
   55    53    59    61   0.15000  1.0 3.0
   55    53    59    64   0.15000  1.0 3.0
   59    64   -68    42   0.56750  1.0 1.0
   59    64   -68    42  -0.07550 -1.0 2.0
   59    64   -68    42   0.20000  1.0 3.0
   59    64    68    69   0.15000  1.0 3.0
   59    64    68    72   0.56750  1.0 1.0
   59    64    68    72  -0.07550 -1.0 2.0
   59    64    68    72   0.20000  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    68   0.15000  1.0 3.0
   61    59    64    65   0.15000  1.0 3.0
   61    59    64    66   0.15000  1.0 3.0
   61    59    64    68   0.15000  1.0 3.0
   64    68    72    73   0.15000  1.0 3.0
   64    68    72    74   0.15000  1.0 3.0
   64    68    72    75   0.15000  1.0 3.0
   65    64    68    42   0.15000  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    72   0.15000  1.0 3.0
   66    64    68    42   0.15000  1.0 3.0
   66    64    68    69   0.15000  1.0 3.0
   66    64    68    72   0.15000  1.0 3.0
   68    42    47    48   0.15000  1.0 3.0
   68    42   -47    53   0.56750  1.0 1.0
   68    42   -47    53  -0.07550 -1.0 2.0
   68    42   -47    53   0.20000  1.0 3.0
   68    42    47    56   0.56750  1.0 1.0
   68    42    47    56  -0.07550 -1.0 2.0
   68    42    47    56   0.20000  1.0 3.0
   68    42    49    50   0.15000  1.0 3.0
   68    42    49    51   0.15000  1.0 3.0
   68    42    49    52   0.15000  1.0 3.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    74   0.15000  1.0 3.0
   69    68    72    75   0.15000  1.0 3.0
   56    47    53    54   0.15000  1.0 3.0
   56    47    53    55   0.15000  1.0 3.0
   56    47    53    59   0.56750  1.0 1.0
   56    47    53    59  -0.07550 -1.0 2.0
   56    47    53    59   0.20000  1.0 3.0
   56    62    67    70  -0.25900  1.0 1.0
   56    62    67    70  -0.47000 -1.0 2.0
   56    62    67    70   0.11750  1.0 3.0
   57    56    62    33   0.15000  1.0 3.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    62    67   0.23400  1.0 3.0
   58    56    62    33   0.15000  1.0 3.0
   58    56    62    63   0.15000  1.0 3.0
   58    56    62    67   0.23400  1.0 3.0
   62    33    37    38   0.15000  1.0 3.0
   62    33    37    39   0.15000  1.0 3.0
   62    33   -37    42   0.56750  1.0 1.0
   62    33   -37    42  -0.07550 -1.0 2.0
   62    33   -37    42   0.20000  1.0 3.0
   62    33   -40    70  -0.95700  1.0 1.0
   62    33   -40    70  -0.18200 -1.0 2.0
   62    33   -40    70   0.29450  1.0 3.0
   62    33    40    41   0.15000  1.0 3.0
   62    33    40    43   0.56750  1.0 1.0
   62    33    40    43  -0.07550 -1.0 2.0
   62    33    40    43   0.20000  1.0 3.0
   62    67    70    71   3.00000 -1.0 2.0
   62    67   -70    40   1.63150  1.0 1.0
   62    67   -70    40   2.92000 -1.0 2.0
   63    62    67    70   0.08050  1.0 3.0
   67    70   -40    33   0.36750  1.0 3.0
   67    70    40    41   0.00000  1.0 1.0
   67    70    40    43   0.36750  1.0 3.0
   70    40    43    44  -0.11250  1.0 3.0
   70    40    43    45  -0.11250  1.0 3.0
   70    40    43    46  -0.11250  1.0 3.0
   71    70    40    33   0.30150 -1.0 2.0
   71    70    40    41   0.00000  1.0 1.0
   71    70    40    43   0.30150 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42   0.56750  1.0 1.0
   40    33    37    42  -0.07550 -1.0 2.0
   40    33    37    42   0.20000  1.0 3.0
   40    33    62    56   0.56750  1.0 1.0
   40    33    62    56  -0.07550 -1.0 2.0
   40    33    62    56   0.20000  1.0 3.0
   40    33    62    63   0.15000  1.0 3.0
   40    33   -62    67   0.62750  1.0 1.0
   40    33   -62    67  -0.30950 -1.0 2.0
   40    33   -62    67   0.27300  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    45   0.15000  1.0 3.0
   41    40    43    46   0.15000  1.0 3.0
   49    42    47    48   0.15000  1.0 3.0
   49    42    47    53   0.56750  1.0 1.0
   49    42    47    53  -0.07550 -1.0 2.0
   49    42    47    53   0.20000  1.0 3.0
   49    42    47    56   0.56750  1.0 1.0
   49    42    47    56  -0.07550 -1.0 2.0
   49    42    47    56   0.20000  1.0 3.0
   49    42    68    64   0.56750  1.0 1.0
   49    42    68    64  -0.07550 -1.0 2.0
   49    42    68    64   0.20000  1.0 3.0
   49    42    68    69   0.15000  1.0 3.0
   49    42    68    72   0.56750  1.0 1.0
   49    42    68    72  -0.07550 -1.0 2.0
   49    42    68    72   0.20000  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
   67    40    70    71  10.50000 -1.0 2.0
END
