* LIGAND DATABASE FILE (OPLS2005)
*
001      70    71    126    188     365
    1     0 S   NP   _N1_     1    29.26575    92.07796   -21.76821
    2     1 S   H    _HN1     2     1.02787    13.72201  -166.86318
    3     1 S   H    _H1_     3     1.02820   103.37761   -55.10921
    4     1 S   H    _H2_     4     1.03014    97.14879    55.28543
    5     1 S   CT   _CA1     5     1.50256   124.16628   175.79583
    6     5 S   HC   _HA1     6     1.09580   105.26541    63.45533
    7     5 S   CO3  _C1_     7     1.53736   112.55030   -56.63905
    8     7 S   O2Z  _O11     8     1.26337   115.11874   -42.25081
    9     7 S   O2Z  _O12     9     1.26268   114.90636   136.89984
   10     5 S   CT   _CB1    10     1.52914   106.97562  -178.98394
   11    10 S   HC   HB11    11     1.09803   108.70436   -53.63344
   12    10 S   HC   HB12    12     1.09839   110.27393    62.56361
   13    10 S   CT   _CG1    13     1.52997   113.56607  -174.97477
   14    13 S   HC   HG11    14     1.09568   110.22723   -63.82482
   15    13 S   HC   HG12    15     1.09599   110.42016    55.61505
   16    13 S   C    _CD1    16     1.51845   111.45180   175.33499
   17    16 S   O    _OE1    17     1.22854   122.88314   -19.07517
   18    16 S   N    _N2_    18     1.38647   112.27493   161.82221
   19    18 S   H    _HN2    19     1.01590   119.29664     0.59742
   20    18 S   CT1  _CA2    20     1.46132   122.76383  -178.69659
   21    20 S   HC   _HA2    21     1.09494   108.60540   -18.57796
   22    20 S   C    _C2_    22     1.53263   108.97258  -133.58756
   23    22 S   O    _O2_    23     1.23027   122.38707  -149.00594
   24    20 S   CT   _CB2    32     1.53536   112.28659   103.09214
   25    24 S   HC   HB21    33     1.09601   110.17104    58.16762
   26    24 S   HC   HB22    34     1.09320   110.16297   175.87251
   27    22 S   N    _N3_    24     1.38357   113.39780    38.78078
   28    27 S   H    _HN3    25     1.01669   119.52070    -3.64115
   29    24 S   S    _SG2    35     1.82750   112.21770   -61.43327
   30    27 S   CT   _CA3    26     1.45285   123.00251   176.47763
   31    30 S   HC   HA31    27     1.09558   107.52406   -63.17774
   32    30 S   HC   HA32    28     1.09560   107.91885    53.19299
   33    29 S   CT   _C9_    36     1.83971   100.98704  -134.03787
   34    33 S   HC   _H4_    37     1.09474   107.31281   -34.05023
   35    30 S   CO3  _C3_    29     1.52902   114.21539   175.19067
   36    35 S   O2Z  _O31    30     1.26346   116.06702    -0.82803
   37    35 S   O2Z  _O32    31     1.26433   114.40315   179.23947
   38    33 S   CT   _C10    38     1.52837   111.51180  -155.21308
   39    38 S   HC   _H5_    39     1.09872   107.54113   158.61056
   40    38 S   CT   _C11    40     1.52891   104.66411   -87.27146
   41    40 S   HC   _H6_    41     1.09657   109.92500  -141.24678
   42    38 S   OH   _O43    69     1.41170   115.75686    39.47625
   43    42 S   HO   _H13    70     0.97232   107.71370    46.51972
   44    40 S   OS   _O35    42     1.44368   105.90084   -25.94349
   45    40 S   CT   _C12    56     1.52684   116.09484    94.83399
   46    45 S   HC   _H10    57     1.09366   111.39367    52.14689
   47    45 S   HC   _H11    58     1.09262   111.38939   -70.26170
   48    33 S   CO   _C8_    43     1.53852   115.90302    92.09798
   49    48 S   HC   _H3_    44     1.09909   107.59309  -161.88363
   50    45 S   OS   _O36    59     1.42806   108.76477   170.22565
   51    48 S   N*   _N4_    45     1.46451   117.04001   -41.86141
   52    50 S   P2   _P1_    60     1.63672   118.35537   154.09540
   53    52 S   O2Z  _O38    61     1.51271   107.81394   173.10741
   54    52 S   O2Z  _O37    62     1.51318   108.81675    40.20118
   55    51 S   CM   _C5_    46     1.38278   120.59970    98.94793
   56    55 S   HC   _H8_    47     1.08478   117.28956    -0.62495
   57    52 S   OS   _O39    63     1.62744    98.67199   -73.96200
   58    55 S   CM   _C4_    48     1.33489   123.10133   179.67314
   59    58 S   HC   _H7_    49     1.08279   122.08953   179.81337
   60    57 S   P2   _P2_    64     1.62405   131.16859   165.84206
   61    60 S   O2Z  _O42    65     1.51070   110.23552    35.11667
   62    60 S   O2Z  _O40    66     1.51213   108.69047   169.45491
   63    58 S   C    _C7_    50     1.47404   119.33197     0.42475
   64    63 S   O    _O34    51     1.22667   121.09629   180.00000
   65    60 S   OS   _O41    67     1.62942    99.01869   -78.62756
   66    65 S   HO   _H12    68     0.98149   116.06775   -80.33995
   67    63 S   NNB  _N5_    52     1.38118   114.77325     0.10279
   68    67 S   H    _H9_    53     1.01453   116.75091   179.55020
   69    51 S   C    _C6_    54     1.40402   118.21777   -80.74097
   70    69 S   O    _O33    55     1.23263   124.11795     0.34548
  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
  14   8   2   1   1  13   7  12   7   4   1   9   8   3   2   8
   3   5   9   7   3   2   8   4   5   6   3   4   3   2   5   3
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    48    49    51    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    51    55    69    45    42    43  
   38    39    40    44    48    49    51    42  
   36    37  
   37  
    0  
   39    40    41    44    48    49    51    45    46    47    50    42    43  
   40    41    44    48    45    42    43  
   41    44    48    49    51    45    46    47    50    52    42    43  
   44    48    45    46    47    50    42  
   43    44    45    48  
    0  
   48    49    51    55    69    45    46    47    50  
   46    47    50    52    53    54    57    48  
   47    50    52  
   50    52  
   49    51    55    56    58    67    69    70  
   51    55    69  
   52    53    54    57    60  
   55    56    58    59    63    67    68    69    70  
   53    54    57    60    61    62    65  
   54    57    60  
   57    60  
   56    58    59    63    64    67    69    70  
   58    59    63    69  
   60    61    62    65    66  
   59    63    64    67    68    69  
   63    64    67  
   61    62    65    66  
   62    65    66  
   65    66  
   64    67    68    69    70  
   67    68    69  
   66  
    0  
   68    69    70  
   69    70  
   70  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.510000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0500   0.100000   1.3810   1.2100   0.008598240   0.268726247
   50   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.2500   0.1700  -0.600000   1.8100   1.6000   0.054801302  -1.445846770
   52   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   53   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   54   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   55   3.5000   0.0800   0.080000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   57   2.8500   0.1400  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5000   0.0800  -0.070000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7400   0.2000   1.263600   2.1070   1.8700   0.005000000   0.000000000
   61   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   62   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   63   3.7500   0.1050   0.450000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.420000   1.5250   1.4250   0.001000000  -1.480495490
   65   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.2500   0.1700  -0.510000   1.8100   1.6000   0.054801302  -1.445846770
   68   0.5000   0.0300   0.360000   1.5900   1.4000   0.030040813  -0.651083722
   69   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.400000   1.5250   1.4250   0.001000000  -1.480495490
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    48   250.000  1.527
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   320.000  1.410
   40    45   268.000  1.529
   44    48   320.000  1.380
   48    49   340.000  1.090
   48    51   275.000  1.479
   51    55   448.000  1.365
   51    69   418.000  1.388
   55    56   340.000  1.080
   55    58   549.000  1.340
   58    59   340.000  1.080
   58    63   410.000  1.444
   63    64   570.000  1.229
   63    67   418.000  1.388
   67    68   434.000  1.010
   67    69   418.000  1.388
   69    70   570.000  1.229
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   320.000  1.410
   50    52   230.000  1.697
   52    53   525.000  1.480
   52    54   525.000  1.480
   52    57   230.000  1.697
   57    60   230.000  1.697
   60    61   525.000  1.480
   60    62   525.000  1.480
   60    65   230.000  1.697
   65    66   553.000  0.945
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    48    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    48    44    90.00000  108.56700
   33    48    49    45.00000  112.01100
   33    48    51    75.00000  107.44000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    50.00000  109.50000
   38    40    45    58.35000  112.70000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    48    60.00000  109.50000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    50    50.00000  109.50000
   44    40    41    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    51   105.00000  106.22000
   48    33    34    45.00000  108.72000
   48    33    38    75.00000  109.43000
   48    51    55    70.00000  121.20000
   48    51    69    70.00000  117.60000
   51    48    49    55.00000  103.44000
   51    55    56    35.00000  119.10000
   51    55    58    70.00000  121.20000
   51    69    67    70.00000  118.60000
   51    69    70    80.00000  120.60000
   55    58    59    35.00000  120.00000
   55    58    63    70.00000  118.70000
   58    55    56    35.00000  120.00000
   58    63    64    80.00000  125.30000
   58    63    67    70.00000  114.10000
   63    58    59    35.00000  119.70000
   63    67    68    35.00000  116.80000
   63    67    69    70.00000  126.40000
   67    63    64    80.00000  120.60000
   67    69    70    80.00000  120.60000
   69    51    55    70.00000  121.60000
   69    67    68    35.00000  116.80000
   45    40    41    37.50000  110.70000
   45    40    44    50.00000  109.50000
   45    50    52   100.00000  120.50000
   47    45    46    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    35.00000  109.50000
   50    52    53   100.00000  108.23000
   50    52    54   100.00000  108.23000
   50    52    57    45.00000  102.60000
   52    57    60    50.00000  132.62000
   54    52    53   140.00000  119.90000
   57    52    53   100.00000  108.23000
   57    52    54   100.00000  108.23000
   57    60    61   100.00000  108.23000
   57    60    62   100.00000  108.23000
   57    60    65    45.00000  102.60000
   60    65    66    45.00000  108.50000
   62    60    61   140.00000  119.90000
   65    60    61   100.00000  108.23000
   65    60    62   100.00000  108.23000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    48    44   0.56750  1.0 1.0
   29    33    48    44  -0.07550 -1.0 2.0
   29    33    48    44   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    51   0.56750  1.0 1.0
   29    33    48    51  -0.07550 -1.0 2.0
   29    33    48    51   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38   -40    44   0.62750  1.0 1.0
   33    38   -40    44  -0.30950 -1.0 2.0
   33    38   -40    44   0.27300  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    48    51    55   2.08450  1.0 1.0
   33    48    51    55  -0.39300 -1.0 2.0
   33    48    51    55   0.23400  1.0 3.0
   33    48    51    69  -0.43950  1.0 1.0
   33    48    51    69  -0.08100 -1.0 2.0
   33    48    51    69   0.03350  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    42   0.23400  1.0 3.0
   34    33    48    44   0.23400  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    51   0.15000  1.0 3.0
   38    33   -48    44   0.62750  1.0 1.0
   38    33   -48    44  -0.30950 -1.0 2.0
   38    33   -48    44   0.27300  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    51  -0.27100  1.0 1.0
   38    33    48    51  -0.01700 -1.0 2.0
   38    33    48    51  -0.48600  1.0 3.0
   38    40   -44    48   0.06250  1.0 1.0
   38    40   -44    48  -0.01100 -1.0 2.0
   38    40   -44    48   0.28050  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40    45    47   0.15000  1.0 3.0
   38    40    45    50   0.62750  1.0 1.0
   38    40    45    50  -0.30950 -1.0 2.0
   38    40    45    50   0.27300  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.23400  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44   -48    33   0.06250  1.0 1.0
   40    44   -48    33  -0.01100 -1.0 2.0
   40    44   -48    33   0.28050  1.0 3.0
   40    44    48    49   0.37050  1.0 3.0
   40    44    48    51  -2.37750  1.0 1.0
   40    44    48    51  -0.08150 -1.0 2.0
   40    44    48    51   0.59000  1.0 3.0
   40    45    50    52  -2.65550  1.0 1.0
   40    45    50    52  -0.22350 -1.0 2.0
   40    45    50    52   0.24150  1.0 3.0
   41    40    44    48   0.37050  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    50   0.23400  1.0 3.0
   44    40    45    46   0.23400  1.0 3.0
   44    40    45    47   0.23400  1.0 3.0
   44    40    45    50   1.11900  1.0 1.0
   44    40    45    50  -1.16350 -1.0 2.0
   44    40    45    50  -0.34150  1.0 3.0
   44    48    51    55  -0.28000  1.0 1.0
   44    48    51    55  -1.16550 -1.0 2.0
   44    48    51    69  -2.75650  1.0 1.0
   44    48    51    69  -1.18150 -1.0 2.0
   44    48    51    69   0.81900  1.0 3.0
   48    33    38    39   0.15000  1.0 3.0
   48    33   -38    40   3.97050  1.0 1.0
   48    33    38    42   0.86500  1.0 1.0
   48    33    38    42  -0.17500 -1.0 2.0
   48    33    38    42   0.20800  1.0 3.0
   48    51    55    56   1.88100 -1.0 2.0
   48    51    55    58  -0.88150  1.0 1.0
   48    51    55    58   2.95600 -1.0 2.0
   48    51    69    67   3.62500 -1.0 2.0
   48    51    69    70   3.04450 -1.0 2.0
   49    48    51    55   0.00000  1.0 1.0
   49    48    51    69   0.00000  1.0 1.0
   51    55    58    59   7.00000 -1.0 2.0
   51    55    58    63   7.00000 -1.0 2.0
   55    51    69    67   3.62500 -1.0 2.0
   55    51    69    70   2.67200 -1.0 2.0
   55    58    63    64   1.00000 -1.0 2.0
   55    58   -63    67   1.50000 -1.0 2.0
   56    55    58    59   7.00000 -1.0 2.0
   56    55    58    63   7.00000 -1.0 2.0
   58    63    67    68   1.52500 -1.0 2.0
   58    63    67    69   7.00000 -1.0 2.0
   59    58    63    64   0.00000  1.0 1.0
   59    58    63    67   7.00000 -1.0 2.0
   63    67   -69    51   3.00000 -1.0 2.0
   63    67    69    70   3.04450 -1.0 2.0
   64    63    67    68   2.45000 -1.0 2.0
   64    63    67    69   3.04450 -1.0 2.0
   68    67    69    51   2.56700 -1.0 2.0
   68    67    69    70   2.45000 -1.0 2.0
   69    51    55    56   1.44600  1.0 1.0
   69    51   -55    58  -0.18900  1.0 1.0
   69    51   -55    58   1.70900 -1.0 2.0
   45    40    44    48   0.06250  1.0 1.0
   45    40    44    48  -0.01100 -1.0 2.0
   45    40    44    48   0.28050  1.0 3.0
   45    50    52    53   0.00000  1.0 1.0
   45    50    52    54   0.00000  1.0 1.0
   45    50    52    57   0.05050  1.0 1.0
   45    50    52    57  -1.30700 -1.0 2.0
   45    50    52    57   0.91550  1.0 3.0
   46    45    50    52   0.03000  1.0 3.0
   47    45    50    52   0.03000  1.0 3.0
   50    52    57    60   0.15000  1.0 3.0
   52    57    60    61   0.50000  1.0 3.0
   52    57    60    62   0.50000  1.0 3.0
   52    57    60    65   0.15000  1.0 3.0
   53    52    57    60   0.50000  1.0 3.0
   54    52    57    60   0.50000  1.0 3.0
   57    60    65    66   0.00000  1.0 1.0
   61    60    65    66   0.00000  1.0 1.0
   62    60    65    66   0.00000  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   3.69350  1.0 1.0
   42    38    40    44  -1.82950 -1.0 2.0
   42    38    40    45   0.86500  1.0 1.0
   42    38    40    45  -0.17500 -1.0 2.0
   42    38    40    45   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   55    69    51    48   1.00000 -1.0 2.0
   51    56    55    58   1.10000 -1.0 2.0
   63    59    58    55   1.10000 -1.0 2.0
   58    67    63    64  10.50000 -1.0 2.0
   68    63    67    69   1.00000 -1.0 2.0
   51    67    69    70  10.50000 -1.0 2.0
END
