* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    141    213     414
    1     0 S   NP   _N1_     1    28.65037    95.90678   -23.40226
    2     1 S   H    _HN1     2     1.02783   103.40076   -89.95085
    3     1 S   H    _H1_     3     1.02950    75.61223    15.90366
    4     1 S   H    _H2_     4     1.02828    35.43873   167.93219
    5     1 S   CT   _CA1     5     1.50111   138.78211   120.57426
    6     5 S   HC   _HA1     6     1.09572   105.20626    86.35513
    7     5 S   CO3  _C1_     7     1.53798   112.45654   -33.89034
    8     7 S   O2Z  _O11     8     1.26372   115.00710   -42.49803
    9     7 S   O2Z  _O12     9     1.26241   114.95302   136.66459
   10     5 S   CT   _CB1    10     1.53086   107.42453  -155.65107
   11    10 S   HC   HB11    11     1.09830   109.39879   -49.73375
   12    10 S   HC   HB12    12     1.09813   110.43119    66.88217
   13    10 S   CT   _CG1    13     1.52980   112.59362  -170.72324
   14    13 S   HC   HG11    14     1.09586   110.59173   -64.90748
   15    13 S   HC   HG12    15     1.09668   109.82388    54.31565
   16    13 S   C    _CD1    16     1.51797   112.29163   174.77423
   17    16 S   O    _OE1    17     1.22723   123.31591     4.93404
   18    16 S   N    _N2_    18     1.38651   111.61664  -175.15471
   19    18 S   H    _HN2    19     1.01580   118.92062     1.99213
   20    18 S   CT1  _CA2    20     1.46189   123.42121   178.15167
   21    20 S   HC   _HA2    21     1.09731   109.40743     1.71623
   22    20 S   C    _C2_    22     1.53518   108.61828  -113.86805
   23    22 S   O    _O2_    23     1.23061   122.26431  -147.77921
   24    20 S   CT   _CB2    32     1.53297   111.47143   123.76791
   25    24 S   HC   HB21    33     1.09491   109.92181    56.43365
   26    24 S   HC   HB22    34     1.09524   110.23403   175.35405
   27    22 S   N    _N3_    24     1.38320   113.70096    39.62524
   28    27 S   H    _HN3    25     1.01593   119.58173    -3.30748
   29    24 S   S    _SG2    35     1.82794   111.55226   -65.05554
   30    27 S   CT   _CA3    26     1.45287   123.18751   177.13447
   31    30 S   HC   HA31    27     1.09550   107.50727   -64.58284
   32    30 S   HC   HA32    28     1.09557   107.98351    51.84812
   33    29 S   CT   _C10    36     1.84955    99.55994   177.34974
   34    33 S   HC   _H4_    37     1.09493   106.34676    34.13386
   35    30 S   CO3  _C3_    29     1.52954   114.09760   173.84859
   36    35 S   O2Z  _O31    30     1.26374   116.06692    -0.68271
   37    35 S   O2Z  _O32    31     1.26429   114.41011   179.38008
   38    33 S   CT   _C11    38     1.55116   108.56211   -82.91564
   39    38 S   HC   _H15    39     1.09814   109.87013    46.04317
   40    38 S   HC   _H16    40     1.09241   108.81256   -67.67395
   41    33 S   CT   _C9_    61     1.56042   110.31249   150.83622
   42    41 S   HC   _H3_    62     1.09562   107.47996  -176.75888
   43    38 S   CT   _C12    41     1.54795   115.25680   168.20168
   44    43 S   HC   _H5_    42     1.09474   111.56214    28.86238
   45    41 S   CO4  _C18    63     1.53143   110.23193   -64.91858
   46    45 S   O    _O35    64     1.22339   125.50968   109.91964
   47    43 S   CM   _C16    43     1.49591   115.24940   -93.57731
   48    45 S   OS   _O36    65     1.36788   109.32967   -70.14011
   49    47 S   CO4  _C15    44     1.47669   109.18584  -141.20503
   50    49 S   O    _O34    45     1.21774   126.99538  -170.17139
   51    48 S   CT   _C19    66     1.43049   115.26808   179.39026
   52    51 S   HC   _H21    67     1.09326   108.09596  -179.63792
   53    51 S   HC   _H22    68     1.09418   110.28708    61.66984
   54    51 S   HC   _H23    69     1.09424   110.28286   -60.97473
   55    47 S   CM   _C17    74     1.33656   130.26056    37.38737
   56    55 S   HC   _H19    75     1.08336   121.64549     0.96773
   57    55 S   HC   _H20    76     1.08566   121.61892  -179.19376
   58    49 S   OS   _O33    46     1.36003   107.34469     8.91656
   59    43 S   CT   _C13    47     1.54156   112.52132   152.56603
   60    59 S   HC   _H6_    48     1.09819   111.34732    31.32660
   61    59 S   CT   _C14    49     1.54519   115.43527   -94.36139
   62    61 S   HC   _H17    50     1.09908   108.88237   -69.07299
   63    61 S   HC   _H18    51     1.09777   109.53073   177.63338
   64    61 S   CM   _C5_    52     1.50989   113.25735    54.39962
   65    64 S   CM   _C6_    53     1.34626   118.57524   -94.70321
   66    65 S   HC   _H10    54     1.08974   118.12538    -6.65184
   67    64 S   CT   _C4_    70     1.50228   116.04351    80.32209
   68    67 S   HC   _H7_    71     1.09401   110.99428   -54.95874
   69    67 S   HC   _H8_    72     1.09295   113.00596  -175.88915
   70    67 S   HC   _H9_    73     1.09513   109.73222    64.42047
   71    65 S   CT   _C7_    55     1.49993   126.96459   162.15581
   72    71 S   HC   _H11    56     1.09533   111.05445    48.91047
   73    71 S   HC   _H12    57     1.09679   108.68017   165.33429
   74    71 S   CT   _C8_    58     1.54415   111.30539   -74.23336
   75    74 S   HC   _H13    59     1.09524   107.91868    69.98226
   76    74 S   HC   _H14    60     1.09595   107.25459  -177.30725
  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  10   5   4   3
  17   8   2   1   1  15   6   5  13   7  14   7  10   3   9   5
   8   3   3   2   1   1   4   1   1   6   7   4  10   4   3  10
  11   5   4   2   1   1   5   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    74    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    47    59    71    74    75    76    41    42    45    46    48  
   38    39    40    43    74    41    42    45  
   36    37  
   37  
    0  
   39    40    43    44    47    49    58    59    60    61    74    41    42    45    55  
   40    43    44    47    59    41  
   43    44    47    59    41  
   42    45    46    48    51    43    65    71    72    73    74    75    76  
   45    46    48    71    74    75    76  
   44    47    49    50    58    59    60    61    62    63    64    55    56    57  
   47    49    58    59    60    61    55  
   46    48    51    52    53    54    71    74    75    76  
   48    51    74  
   49    50    58    59    60    61    55    56    57  
   51    52    53    54    74  
   50    58    59    60    61    55    56    57  
   58    59    55  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    59  
   57  
    0  
   59    60    61    62    63    64  
   60    61    62    63    64    65    67  
   61    62    63    64  
   62    63    64    65    66    71    67    68    69    70  
   63    64    65    67  
   64    65    67  
   65    66    71    72    73    74    67    68    69    70  
   66    71    72    73    74    75    76    67    68    69    70  
   71    72    73    74    67  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   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   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    47   317.000  1.510
   43    59   268.000  1.529
   47    49   320.000  1.462
   47    55   549.000  1.340
   49    50   570.000  1.229
   49    58   214.000  1.327
   58    59   320.000  1.410
   59    60   340.000  1.090
   59    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   317.000  1.510
   64    65   549.000  1.340
   64    67   317.000  1.510
   65    66   340.000  1.080
   65    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    41   268.000  1.529
   41    42   340.000  1.090
   41    45   317.000  1.522
   45    46   570.000  1.229
   45    48   214.000  1.327
   48    51   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   55    56   340.000  1.080
   55    57   340.000  1.080
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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    74    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    45    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    47    70.00000  112.02700
   38    43    59    58.35000  112.70000
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    47    49    65.00000  116.34900
   43    47    55    70.00000  124.00000
   43    59    58    50.00000  109.50000
   43    59    60    37.50000  110.70000
   43    59    61    58.35000  112.70000
   47    43    44    35.00000  109.50000
   47    49    50    80.00000  123.72100
   47    49    58    90.00000  111.29400
   47    55    56    35.00000  120.00000
   47    55    57    35.00000  120.00000
   49    58    59    83.00000  116.90000
   58    49    50    83.00000  123.40000
   58    59    60    35.00000  109.50000
   58    59    61    50.00000  109.50000
   59    43    44    37.50000  110.70000
   59    43    47    70.00000  112.02700
   59    61    62    37.50000  110.70000
   59    61    63    37.50000  110.70000
   59    61    64    70.00000  112.02700
   61    59    60    37.50000  110.70000
   61    64    65    70.00000  124.00000
   61    64    67    65.00000  117.92700
   63    61    62    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    63    35.00000  109.50000
   64    65    66    35.00000  120.00000
   64    65    71    70.00000  124.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   65    71    72    35.00000  109.50000
   65    71    73    35.00000  109.50000
   65    71    74    70.00000  112.02700
   71    65    66    35.00000  117.00000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    41    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    41    42    37.50000  110.70000
   74    41    45    63.00000  111.10000
   76    74    75    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    74    75    37.50000  110.70000
   41    74    76    37.50000  110.70000
   41    45    46    80.00000  120.40000
   41    45    48    81.00000  111.40000
   45    41    42    35.00000  109.50000
   45    48    51    83.00000  116.90000
   48    45    46    83.00000  123.40000
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    54    35.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   67    64    65    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   55    47    49    65.00000  118.96000
   57    55    56    35.00000  117.00000
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   0.01700  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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    74   0.44750  1.0 1.0
   29    33    41    74  -0.17800 -1.0 2.0
   29    33    41    74   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    45   0.56750  1.0 1.0
   29    33    41    45  -0.07550 -1.0 2.0
   29    33    41    45   0.20000  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    47   0.34400  1.0 1.0
   33    38    43    47   0.09450 -1.0 2.0
   33    38    43    47   0.11100  1.0 3.0
   33    38    43    59   0.56750  1.0 1.0
   33    38    43    59  -0.07550 -1.0 2.0
   33    38    43    59   0.20000  1.0 3.0
   33    41    45    46   0.30150 -1.0 2.0
   33    41    45    48   0.36750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    74   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    45  -0.11250  1.0 3.0
   38    33    41    74   0.56750  1.0 1.0
   38    33    41    74  -0.07550 -1.0 2.0
   38    33    41    74   0.20000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    45  -0.95700  1.0 1.0
   38    33    41    45  -0.18200 -1.0 2.0
   38    33    41    45   0.29450  1.0 3.0
   38    43    47    49   0.09700  1.0 1.0
   38    43    47    49   0.15600 -1.0 2.0
   38    43    47    49  -0.50800  1.0 3.0
   38    43    47    55   0.09850  1.0 1.0
   38    43    47    55   0.15250 -1.0 2.0
   38    43    47    55  -0.50650  1.0 3.0
   38    43    59    58   0.62750  1.0 1.0
   38    43    59    58  -0.30950 -1.0 2.0
   38    43    59    58   0.27300  1.0 3.0
   38    43    59    60   0.15000  1.0 3.0
   38    43    59    61   0.56750  1.0 1.0
   38    43    59    61  -0.07550 -1.0 2.0
   38    43    59    61   0.20000  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    47   0.15000  1.0 3.0
   39    38    43    59   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    47   0.15000  1.0 3.0
   40    38    43    59   0.15000  1.0 3.0
   43    47    49    50  -0.64400  1.0 1.0
   43    47    49    50   0.26850 -1.0 2.0
   43    47   -49    58  -0.15000  1.0 1.0
   43    47   -49    58   0.89550 -1.0 2.0
   43    47   -49    58  -0.06900  1.0 3.0
   43    47    55    56   7.00000 -1.0 2.0
   43    47    55    57   7.00000 -1.0 2.0
   43    59    61    62   0.15000  1.0 3.0
   43    59    61    63   0.15000  1.0 3.0
   43    59    61    64   0.34400  1.0 1.0
   43    59    61    64   0.09450 -1.0 2.0
   43    59    61    64   0.11100  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    55   0.00000  1.0 1.0
   44    43    59    58   0.23400  1.0 3.0
   44    43    59    60   0.15000  1.0 3.0
   44    43    59    61   0.15000  1.0 3.0
   47    43   -59    58   0.61850  1.0 1.0
   47    43   -59    58  -0.22750 -1.0 2.0
   47    43   -59    58   0.15300  1.0 3.0
   47    43    59    60   0.15000  1.0 3.0
   47    43    59    61   0.34400  1.0 1.0
   47    43    59    61   0.09450 -1.0 2.0
   47    43    59    61   0.11100  1.0 3.0
   47    49   -58    59   2.00000 -1.0 2.0
   49    47    55    56   7.00000 -1.0 2.0
   49    47    55    57   7.00000 -1.0 2.0
   49    58   -59    43  -0.25900  1.0 1.0
   49    58   -59    43  -0.47000 -1.0 2.0
   49    58   -59    43   0.11750  1.0 3.0
   49    58    59    60   0.08050  1.0 3.0
   49    58    59    61  -0.25900  1.0 1.0
   49    58    59    61  -0.47000 -1.0 2.0
   49    58    59    61   0.11750  1.0 3.0
   50    49    58    59   3.00000 -1.0 2.0
   58    59    61    62   0.23400  1.0 3.0
   58    59    61    63   0.23400  1.0 3.0
   58    59    61    64   0.61850  1.0 1.0
   58    59    61    64  -0.22750 -1.0 2.0
   58    59    61    64   0.15300  1.0 3.0
   59    43   -47    49   0.09700  1.0 1.0
   59    43   -47    49   0.15600 -1.0 2.0
   59    43   -47    49  -0.50800  1.0 3.0
   59    43    47    55   0.09850  1.0 1.0
   59    43    47    55   0.15250 -1.0 2.0
   59    43    47    55  -0.50650  1.0 3.0
   59    61    64    65   0.09850  1.0 1.0
   59    61    64    65   0.15250 -1.0 2.0
   59    61    64    65  -0.50650  1.0 3.0
   59    61    64    67   0.46850  1.0 1.0
   59    61    64    67   0.08550 -1.0 2.0
   59    61    64    67   0.09800  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59    61    64   0.15000  1.0 3.0
   61    64    65    66   7.00000 -1.0 2.0
   61    64    65    71   7.00000 -1.0 2.0
   61    64    67    68   0.34800  1.0 3.0
   61    64    67    69   0.34800  1.0 3.0
   61    64    67    70   0.34800  1.0 3.0
   62    61    64    65   0.00000  1.0 1.0
   62    61    64    67   0.34800  1.0 3.0
   63    61    64    65   0.00000  1.0 1.0
   63    61    64    67   0.34800  1.0 3.0
   64    65    71    72   0.00000  1.0 1.0
   64    65    71    73   0.00000  1.0 1.0
   64    65    71    74   0.09850  1.0 1.0
   64    65    71    74   0.15250 -1.0 2.0
   64    65    71    74  -0.50650  1.0 3.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    69   0.00000  1.0 1.0
   65    64    67    70   0.00000  1.0 1.0
   65    71    74    75   0.15000  1.0 3.0
   65    71    74    76   0.15000  1.0 3.0
   65    71    74    41   0.34400  1.0 1.0
   65    71    74    41   0.09450 -1.0 2.0
   65    71    74    41   0.11100  1.0 3.0
   66    65    71    72   0.33100  1.0 3.0
   66    65    71    73   0.33100  1.0 3.0
   66    65    71    74   0.00000  1.0 1.0
   71    74    41    33   0.56750  1.0 1.0
   71    74    41    33  -0.07550 -1.0 2.0
   71    74    41    33   0.20000  1.0 3.0
   71    74    41    42   0.15000  1.0 3.0
   71    74    41    45  -0.95700  1.0 1.0
   71    74    41    45  -0.18200 -1.0 2.0
   71    74    41    45   0.29450  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    41   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    76   0.15000  1.0 3.0
   73    71    74    41   0.15000  1.0 3.0
   74    41    45    46   0.30150 -1.0 2.0
   74    41    45    48   0.36750  1.0 3.0
   75    74    41    33   0.15000  1.0 3.0
   75    74    41    42   0.15000  1.0 3.0
   75    74    41    45  -0.11250  1.0 3.0
   76    74    41    33   0.15000  1.0 3.0
   76    74    41    42   0.15000  1.0 3.0
   76    74    41    45  -0.11250  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   41    45    48    51   1.63150  1.0 1.0
   41    45    48    51   2.92000 -1.0 2.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    48   0.00000  1.0 1.0
   45    48    51    52   0.08050  1.0 3.0
   45    48    51    53   0.08050  1.0 3.0
   45    48    51    54   0.08050  1.0 3.0
   46    45    48    51   3.00000 -1.0 2.0
   67    64    65    66   7.00000 -1.0 2.0
   67    64    65    71   7.00000 -1.0 2.0
   55    47    49    50   1.00000 -1.0 2.0
   55    47    49    58  -0.56150  1.0 1.0
   55    47    49    58   2.19150 -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
   43    49    47    55   1.10000 -1.0 2.0
   47    58    49    50  10.50000 -1.0 2.0
   61    67    64    65   1.10000 -1.0 2.0
   71    66    65    64   1.10000 -1.0 2.0
   41    48    45    46  10.50000 -1.0 2.0
   56    57    55    47   1.10000 -1.0 2.0
END
