* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    134    202     391
    1     0 S   NP   _N1_     1    28.60256    96.91660   -24.25637
    2     1 S   H    _HN1     2     1.02835    35.69817   170.22465
    3     1 S   H    _H1_     3     1.02779   112.40693  -100.00030
    4     1 S   H    _H2_     4     1.02960    72.16155     2.98760
    5     1 S   CT   _CA1     5     1.50135   131.31620   104.75195
    6     5 S   HC   _HA1     6     1.09576   105.20330    93.65620
    7     5 S   CO3  _C1_     7     1.53761   112.41223   -26.50762
    8     7 S   O2Z  _O11     8     1.26360   114.98149   -42.87354
    9     7 S   O2Z  _O12     9     1.26236   114.91948   136.21124
   10     5 S   CT   _CB1    10     1.53082   107.41529  -148.45236
   11    10 S   HC   HB11    11     1.09830   109.24736   -50.76773
   12    10 S   HC   HB12    12     1.09816   110.44364    65.75262
   13    10 S   CT   _CG1    13     1.53032   112.73284  -171.86371
   14    13 S   HC   HG11    14     1.09590   110.52133   -65.77915
   15    13 S   HC   HG12    15     1.09659   109.90520    53.46117
   16    13 S   C    _CD1    16     1.51820   112.25443   173.76392
   17    16 S   O    _OE1    17     1.22753   123.28910     1.82767
   18    16 S   N    _N2_    18     1.38621   111.80042  -178.15697
   19    18 S   H    _HN2    19     1.01585   118.99317     3.47863
   20    18 S   CT1  _CA2    20     1.45880   122.69098   176.80966
   21    20 S   HC   _HA2    21     1.09652   110.05207    20.32388
   22    20 S   C    _C2_    22     1.52662   104.42494   -97.30524
   23    22 S   O    _O2_    23     1.23022   122.36646   -80.16635
   24    20 S   CT   _CB2    32     1.53163   111.89444   143.72925
   25    24 S   HC   HB21    33     1.09572   110.58677    51.66727
   26    24 S   HC   HB22    34     1.09488   109.49106   171.06325
   27    22 S   N    _N3_    24     1.38380   113.06559    95.47676
   28    27 S   H    _HN3    25     1.01690   120.29921     0.52339
   29    24 S   S    _SG2    35     1.82353   111.09978   -69.08678
   30    27 S   CT   _CA3    26     1.45356   122.44608  -177.95474
   31    30 S   HC   HA31    27     1.09565   107.67494   -58.92912
   32    30 S   HC   HA32    28     1.09572   107.70658    57.35716
   33    29 S   CT   _C8_    36     1.85266   100.09587   171.58989
   34    33 S   HC   _H3_    37     1.09401   106.70826   -51.08779
   35    30 S   CO3  _C3_    29     1.52883   114.43364   179.18675
   36    35 S   O2Z  _O31    30     1.26319   116.09905     0.61294
   37    35 S   O2Z  _O32    31     1.26452   114.38988  -179.34181
   38    33 S   CM   _C6_    38     1.52478   107.61904  -168.77970
   39    38 S   CT   _C5_    39     1.52228   115.43943   -93.32801
   40    39 S   HC   _H10    40     1.09646   110.61825   130.17550
   41    39 S   HC   _H11    41     1.09837   108.29833  -111.90825
   42    38 S   CMA  _C7_    69     1.36042   124.06848    89.73787
   43    42 S   OM   _O33    70     1.25896   129.97488   176.99456
   44    39 S   CT   _C4_    42     1.52539   113.09316     8.08226
   45    44 S   HC   _H8_    43     1.09592   109.46185  -166.36606
   46    44 S   HC   _H9_    44     1.09554   112.15508    75.27140
   47    42 S   NE   _N4_    71     1.36755   122.56777    -3.73455
   48    47 S   H    _H12    72     1.00866   122.28708    -6.00923
   49    47 S   H    _H13    73     1.01226   117.08587  -177.72308
   50    44 S   CG   _C9_    45     1.49518   110.99459   -47.21039
   51    50 S   HC   _H14    46     1.09733   120.32433  -139.25135
   52    33 S   N*   _N5_    47     1.51611   117.02008    66.95642
   53    52 S   CO   _C10    48     1.50946   118.03264  -100.43241
   54    53 S   HC   _H4_    49     1.09391   105.82483    36.83483
   55    53 S   CT   _C11    50     1.53277   112.30344   -82.81182
   56    55 S   HC   _H5_    51     1.09838   107.85192   147.94135
   57    55 S   CT   _C12    52     1.51499   103.12806   -97.52598
   58    57 S   HC   _H6_    53     1.09387   113.41666  -158.57441
   59    55 S   OH   _O40    67     1.41082   115.91780    27.05033
   60    59 S   HO   _H18    68     0.97283   107.90768   179.35381
   61    57 S   CT   _C13    54     1.52569   101.02087   -37.66088
   62    61 S   HC   _H7_    55     1.09714   110.14619   -81.55783
   63    57 S   OH   _O39    65     1.42305   110.43647    80.38207
   64    63 S   HO   _H17    66     0.97318   107.45790    57.08501
   65    53 S   OS   _O34    56     1.44254   116.96849   155.40488
   66    61 S   CT   _C14    57     1.52222   114.85534   153.45001
   67    66 S   HC   _H15    58     1.09425   110.70797    57.67731
   68    66 S   HC   _H16    59     1.09439   111.26269   -63.08189
   69    66 S   OS   _O35    60     1.42500   108.76523   175.94411
   70    69 S   P3   _P1_    61     1.65056   118.38262   127.71592
   71    70 S   O2Z  _O37    62     1.52460   103.60847  -179.87805
   72    70 S   O2Z  _O38    63     1.52541   104.27411    60.31075
   73    70 S   O2Z  _O36    64     1.52615   104.57791   -60.03915
  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
  16   6   2   1   1  14  11   6   5   6   3   6   4   3   2   1
   1   6   2   8  12   6  11   7  12   7   4   1   9   6   3   1
   4   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    50    52    53    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    50    51    52    53    54    55    65    42    43    47  
   38    39    50    52    53    42  
   36    37  
   37  
    0  
   39    40    41    44    45    46    50    52    53    42    43    47    48    49  
   40    41    44    45    46    50    51    52    42    43    47  
   41    44    45    46    50    42  
   44    45    46    50    42  
   43    47    48    49    44    52  
   47    48    49  
   45    46    50    51    52    53  
   46    50    51    52  
   50    51    52  
   48    49  
   49  
    0  
   51    52    53    54    55    65  
   52    53  
   53    54    55    56    57    61    65    59  
   54    55    56    57    58    61    62    65    66    63    59    60  
   55    56    57    61    65    59  
   56    57    58    61    62    65    66    63    64    59    60  
   57    58    61    65    63    59    60  
   58    61    62    65    66    67    68    69    63    64    59    60  
   61    62    65    66    63    64    59  
   60    61    63    65  
    0  
   62    65    66    67    68    69    70    63    64  
   65    66    67    68    69    63  
   64    65    66  
    0  
   66    67    68    69  
   67    68    69    70    71    72    73  
   68    69    70  
   69    70  
   70    71    72    73  
   71    72    73  
   72    73  
   73  
    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   0.514200   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660   0.215700   1.9750   1.7500   0.005000000  -0.741685710
   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   3.2500   0.1700  -1.229900   1.8650   1.6500   0.051222218  -2.220205820
   48   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   49   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7500   0.1050  -0.072300   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   52   3.2500   0.1700  -0.065700   1.9050   1.6860   0.051222218  -2.220205820
   53   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0150   0.100000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   71   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   72   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   73   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   340.000  1.090
   33    38   317.000  1.510
   33    52   337.000  1.475
   38    39   317.000  1.510
   38    42   465.000  1.376
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   290.000  1.488
   50    51   385.000  1.083
   50    52   590.000  1.308
   52    53   275.000  1.479
   53    54   340.000  1.090
   53    55   250.000  1.527
   53    65   320.000  1.380
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    59   320.000  1.410
   57    58   340.000  1.090
   57    61   268.000  1.529
   57    63   320.000  1.410
   61    62   340.000  1.090
   61    65   320.000  1.410
   61    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   320.000  1.410
   69    70   230.000  1.630
   70    71   525.000  1.516
   70    72   525.000  1.516
   70    73   525.000  1.516
   63    64   553.000  0.945
   59    60   553.000  0.945
   42    43   745.000  1.250
   42    47   415.000  1.382
   47    48   434.000  1.010
   47    49   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    52    80.00000  108.62000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    52    50    85.00000  113.64000
   33    52    53    65.00000  120.78000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    70.00000  112.02700
   38    42    43    65.00000  137.10300
   38    42    47    75.00000  114.40000
   39    44    45    37.50000  110.70000
   39    44    46    37.50000  110.70000
   39    44    50    70.00000  109.02000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    50    51    35.00000  121.91500
   44    50    52    65.00000  114.34000
   46    44    45    33.00000  107.80000
   50    44    45    45.00000  109.33400
   50    44    46    45.00000  109.33400
   50    52    53    65.00000  122.98000
   52    33    34    35.00000  109.50000
   52    33    38    80.00000  111.76000
   52    50    51    45.00000  115.58000
   52    53    54    55.00000  103.44000
   52    53    55    75.00000  107.44000
   52    53    65   105.00000  106.22000
   53    55    56    45.00000  108.72000
   53    55    57    75.00000  109.43000
   53    55    59    90.00000  111.58700
   53    65    61    60.00000  109.50000
   55    53    54    45.00000  112.01100
   55    57    58    37.50000  110.70000
   55    57    61    58.35000  112.70000
   55    57    63    50.00000  109.50000
   55    59    60    55.00000  108.50000
   57    55    56    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    65    50.00000  109.50000
   57    61    66    58.35000  112.70000
   57    63    64    55.00000  108.50000
   61    57    58    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    69    50.00000  109.50000
   65    53    54    35.00000  109.50000
   65    53    55    90.00000  108.56700
   65    61    62    35.00000  109.50000
   66    61    62    37.50000  110.70000
   66    61    65    50.00000  109.50000
   66    69    70    80.00000  112.68000
   68    66    67    33.00000  107.80000
   69    66    67    35.00000  109.50000
   69    66    68    35.00000  109.50000
   69    70    71   100.00000  107.00000
   69    70    72   100.00000  107.00000
   69    70    73   100.00000  107.00000
   72    70    71   140.00000  114.00000
   73    70    71   140.00000  114.00000
   73    70    72   140.00000  114.00000
   63    57    58    35.00000  109.50000
   63    57    61    50.00000  109.50000
   59    55    56    35.00000  109.50000
   59    55    57    50.00000  109.50000
   42    38    39    70.00000  124.00000
   42    47    48    50.00000  121.48000
   42    47    49    50.00000  121.48000
   47    42    43   105.00000  113.92000
   49    47    48    35.00000  109.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    52    50   0.68100  1.0 1.0
   29    33    52    50   0.03350 -1.0 2.0
   29    33    52    50   0.36200  1.0 3.0
   29    33    52    53   0.68100  1.0 1.0
   29    33    52    53   0.03350 -1.0 2.0
   29    33    52    53   0.36200  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    47   7.00000 -1.0 2.0
   33    52    53    54   0.00000  1.0 1.0
   33    52    53    55   2.08450  1.0 1.0
   33    52    53    55  -0.39300 -1.0 2.0
   33    52    53    55   0.23400  1.0 3.0
   33    52    53    65   0.10350  1.0 1.0
   33    52    53    65  -0.15350 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    52    50   0.00000  1.0 1.0
   34    33    52    53   0.00000  1.0 1.0
   38    33    52    50   0.68100  1.0 1.0
   38    33    52    50   0.03350 -1.0 2.0
   38    33    52    50   0.36200  1.0 3.0
   38    33    52    53   0.68100  1.0 1.0
   38    33    52    53   0.03350 -1.0 2.0
   38    33    52    53   0.36200  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39    44    46   0.15000  1.0 3.0
   38    39   -44    50   0.31000  1.0 1.0
   38    39   -44    50   0.14700 -1.0 2.0
   38    39   -44    50   0.07550  1.0 3.0
   38    42    47    48   1.00000 -1.0 2.0
   38    42    47    49   1.00000 -1.0 2.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    47   7.00000 -1.0 2.0
   39    44    50    51   0.00000  1.0 1.0
   39    44    50    52  -0.93550  1.0 1.0
   39    44    50    52   0.38900 -1.0 2.0
   39    44    50    52   0.16950  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    46   0.15000  1.0 3.0
   40    39    44    50   0.15000  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    46   0.15000  1.0 3.0
   41    39    44    50   0.15000  1.0 3.0
   44    50   -52    33   3.62500 -1.0 2.0
   44    50    52    53   3.62500 -1.0 2.0
   45    44    50    51   0.33100  1.0 3.0
   45    44    50    52   0.00000  1.0 1.0
   46    44    50    51   0.33100  1.0 3.0
   46    44    50    52   0.00000  1.0 1.0
   50    52    53    54   0.00000  1.0 1.0
   50    52    53    55   2.08450  1.0 1.0
   50    52    53    55  -0.39300 -1.0 2.0
   50    52    53    55   0.23400  1.0 3.0
   50    52    53    65  -0.28000  1.0 1.0
   50    52    53    65  -1.16550 -1.0 2.0
   51    50    52    33   1.88100 -1.0 2.0
   51    50    52    53   1.88100 -1.0 2.0
   52    33   -38    39   0.09700  1.0 1.0
   52    33   -38    39   0.15600 -1.0 2.0
   52    33   -38    39  -0.50800  1.0 3.0
   52    33    38    42   0.62150  1.0 1.0
   52    33    38    42   0.42850 -1.0 2.0
   52    33    38    42  -0.68200  1.0 3.0
   52    53    55    56   0.15000  1.0 3.0
   52    53    55    57  -0.27100  1.0 1.0
   52    53    55    57  -0.01700 -1.0 2.0
   52    53    55    57  -0.48600  1.0 3.0
   52    53    55    59   2.76900  1.0 1.0
   52    53    55    59  -0.24350 -1.0 2.0
   52    53    55    59  -0.78250  1.0 3.0
   52    53    65    61  -2.37750  1.0 1.0
   52    53    65    61  -0.08150 -1.0 2.0
   52    53    65    61   0.59000  1.0 3.0
   53    55    57    58   0.15000  1.0 3.0
   53    55   -57    61   3.97050  1.0 1.0
   53    55    57    63   0.86500  1.0 1.0
   53    55    57    63  -0.17500 -1.0 2.0
   53    55    57    63   0.20800  1.0 3.0
   53    55    59    60  -0.11600  1.0 1.0
   53    55    59    60  -0.09450 -1.0 2.0
   53    55    59    60   0.21250  1.0 3.0
   54    53    55    56   0.15000  1.0 3.0
   54    53    55    57   0.15000  1.0 3.0
   54    53    55    59   0.23400  1.0 3.0
   54    53    65    61   0.37050  1.0 3.0
   55    53   -65    61   0.06250  1.0 1.0
   55    53   -65    61  -0.01100 -1.0 2.0
   55    53   -65    61   0.28050  1.0 3.0
   55    57    61    62   0.15000  1.0 3.0
   55    57   -61    65   0.62750  1.0 1.0
   55    57   -61    65  -0.30950 -1.0 2.0
   55    57   -61    65   0.27300  1.0 3.0
   55    57    61    66   0.56750  1.0 1.0
   55    57    61    66  -0.07550 -1.0 2.0
   55    57    61    66   0.20000  1.0 3.0
   55    57    63    64  -0.11600  1.0 1.0
   55    57    63    64  -0.09450 -1.0 2.0
   55    57    63    64   0.21250  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    61   0.15000  1.0 3.0
   56    55    57    63   0.23400  1.0 3.0
   56    55    59    60   0.19450  1.0 3.0
   57    55    59    60  -0.11600  1.0 1.0
   57    55    59    60  -0.09450 -1.0 2.0
   57    55    59    60   0.21250  1.0 3.0
   57    61   -65    53   0.06250  1.0 1.0
   57    61   -65    53  -0.01100 -1.0 2.0
   57    61   -65    53   0.28050  1.0 3.0
   57    61    66    67   0.15000  1.0 3.0
   57    61    66    68   0.15000  1.0 3.0
   57    61    66    69   0.62750  1.0 1.0
   57    61    66    69  -0.30950 -1.0 2.0
   57    61    66    69   0.27300  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    65   0.23400  1.0 3.0
   58    57    61    66   0.15000  1.0 3.0
   58    57    63    64   0.19450  1.0 3.0
   61    57    63    64  -0.11600  1.0 1.0
   61    57    63    64  -0.09450 -1.0 2.0
   61    57    63    64   0.21250  1.0 3.0
   61    66    69    70  -2.65550  1.0 1.0
   61    66    69    70  -0.22350 -1.0 2.0
   61    66    69    70   0.24150  1.0 3.0
   62    61    65    53   0.37050  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    68   0.15000  1.0 3.0
   62    61    66    69   0.23400  1.0 3.0
   65    53    55    56   0.23400  1.0 3.0
   65    53   -55    57   0.62750  1.0 1.0
   65    53   -55    57  -0.30950 -1.0 2.0
   65    53   -55    57   0.27300  1.0 3.0
   65    53    55    59   3.69350  1.0 1.0
   65    53    55    59  -1.82950 -1.0 2.0
   65    61    66    67   0.23400  1.0 3.0
   65    61    66    68   0.23400  1.0 3.0
   65    61    66    69   1.11900  1.0 1.0
   65    61    66    69  -1.16350 -1.0 2.0
   65    61    66    69  -0.34150  1.0 3.0
   66    61    65    53   0.06250  1.0 1.0
   66    61    65    53  -0.01100 -1.0 2.0
   66    61    65    53   0.28050  1.0 3.0
   66    69    70    71   0.00000  1.0 1.0
   66    69    70    72   0.00000  1.0 1.0
   66    69    70    73   0.00000  1.0 1.0
   67    66    69    70   0.03000  1.0 3.0
   68    66    69    70   0.03000  1.0 3.0
   63    57    61    62   0.23400  1.0 3.0
   63    57    61    65   3.69350  1.0 1.0
   63    57    61    65  -1.82950 -1.0 2.0
   63    57    61    66   0.86500  1.0 1.0
   63    57    61    66  -0.17500 -1.0 2.0
   63    57    61    66   0.20800  1.0 3.0
   59    55    57    58   0.23400  1.0 3.0
   59    55    57    61   0.86500  1.0 1.0
   59    55    57    61  -0.17500 -1.0 2.0
   59    55    57    61   0.20800  1.0 3.0
   59    55    57    63   3.75450  1.0 1.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    44   0.09850  1.0 1.0
   42    38    39    44   0.15250 -1.0 2.0
   42    38    39    44  -0.50650  1.0 3.0
   43    42    47    48   1.00000 -1.0 2.0
   43    42    47    49   1.00000 -1.0 2.0
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
   33    39    38    42   1.10000 -1.0 2.0
   44    51    50    52  10.50000 -1.0 2.0
   33    53    52    50   1.00000 -1.0 2.0
   47    43    42    38   1.10000 -1.0 2.0
   49    42    47    48   1.00000 -1.0 2.0
END
