* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    138    213     410
    1     0 S   NP   _N1_     1    28.97005    92.69980   -26.41350
    2     1 S   H    _HN1     2     1.02827    17.13504  -141.03733
    3     1 S   H    _H1_     3     1.02795   121.87175  -103.19484
    4     1 S   H    _H2_     4     1.02949    92.17914    10.06730
    5     1 S   CT   _CA1     5     1.50129   109.81863   122.70948
    6     5 S   HC   _HA1     6     1.09576   105.16610    77.51547
    7     5 S   CO3  _C1_     7     1.53768   112.41961   -42.68745
    8     7 S   O2Z  _O11     8     1.26377   115.00539   -43.51195
    9     7 S   O2Z  _O12     9     1.26235   114.93938   135.46450
   10     5 S   CT   _CB1    10     1.53057   107.39963  -164.54181
   11    10 S   HC   HB11    11     1.09842   109.32444   -49.53631
   12    10 S   HC   HB12    12     1.09811   110.48407    67.05241
   13    10 S   CT   _CG1    13     1.53021   112.63766  -170.47319
   14    13 S   HC   HG11    14     1.09572   110.72004   -67.13937
   15    13 S   HC   HG12    15     1.09671   109.71116    52.11097
   16    13 S   C    _CD1    16     1.51816   111.99239   172.57535
   17    16 S   O    _OE1    17     1.22760   123.17965    11.70014
   18    16 S   N    _N2_    18     1.38640   111.83666  -168.27623
   19    18 S   H    _HN2    19     1.01578   119.03377     0.89351
   20    18 S   CT1  _CA2    20     1.46234   123.38332   176.71324
   21    20 S   HC   _HA2    21     1.09743   109.24397     8.02859
   22    20 S   C    _C2_    22     1.53720   109.00120  -107.48263
   23    22 S   O    _O2_    23     1.23093   122.20842  -149.98650
   24    20 S   CT   _CB2    32     1.53508   111.68088   129.98921
   25    24 S   HC   HB21    33     1.09462   109.40188    56.63288
   26    24 S   HC   HB22    34     1.09314   109.58841   175.45489
   27    22 S   N    _N3_    24     1.38300   113.94781    37.55204
   28    27 S   H    _HN3    25     1.01536   119.61978    -3.30867
   29    24 S   S    _SG2    35     1.82890   111.17295   -64.04422
   30    27 S   CT   _CA3    26     1.45279   123.27953   177.18346
   31    30 S   HC   HA31    27     1.09547   107.51656   -64.75810
   32    30 S   HC   HA32    28     1.09556   107.99273    51.69820
   33    29 S   CT   _C9_    36     1.90399   102.13065  -171.27836
   34    30 S   CO3  _C3_    29     1.52973   114.04701   173.70671
   35    34 S   O2Z  _O31    30     1.26383   116.08488    -0.10835
   36    34 S   O2Z  _O32    31     1.26426   114.41574   179.94405
   37    33 S   CT   _C8_    37     1.57037   105.56772    67.35347
   38    37 S   HC   _H11    38     1.09938   109.19783    31.00498
   39    37 S   HC   _H12    39     1.09629   108.15118   -83.21270
   40    33 S   CT   _C10    62     1.60563   110.36813   -54.68051
   41    40 S   OM   _O35    63     1.32780   109.34533   -63.99265
   42    40 S   HC   _H4_    64     1.09808   104.82036    63.30548
   43    33 S   CT   _C18    71     1.55054   103.01985  -176.60379
   44    43 S   HC   _H19    72     1.09678   112.51108    55.02712
   45    43 S   HC   _H20    73     1.09699   111.30278   -65.10035
   46    43 S   HC   _H21    74     1.09369   112.23875   174.90595
   47    37 S   CT   _C7_    40     1.54548   116.58043   152.19095
   48    47 S   HC   _H3_    41     1.08483   111.33421    18.20787
   49    47 S   CM   _C6_    42     1.50687   111.77641   142.23198
   50    49 S   HC   _H10    43     1.08916   114.98416    64.84126
   51    47 S   OH   _O36    69     1.43028   109.58412   -97.84074
   52    51 S   HO   _H22    70     0.97228   108.17251   -60.97264
   53    49 S   CM   _C5_    44     1.34953   126.69646  -112.74352
   54    53 S   CT   _C14    45     1.51832   124.40935    -3.04433
   55    54 S   HC   _H15    46     1.09855   107.84789  -145.07065
   56    54 S   HC   _H16    47     1.09514   110.14534   -31.47561
   57    53 S   CT   _C4_    65     1.50623   120.14341   178.11156
   58    57 S   HC   _H7_    66     1.09487   110.32772   121.14443
   59    57 S   HC   _H8_    67     1.09524   112.29259     1.32249
   60    57 S   HC   _H9_    68     1.09400   110.58960  -118.67224
   61    54 S   CT   _C13    48     1.53771   116.08426    92.95404
   62    61 S   HC   _H6_    49     1.09980   107.38380  -174.19306
   63    61 S   CT   _C12    50     1.52733   116.49850   -49.35446
   64    63 S   HC   _H5_    51     1.09234   110.15844    44.92637
   65    63 S   CM   _C16    52     1.49666    98.65923   155.35244
   66    63 S   CT   _C11    59     1.54370   113.06093   -79.79855
   67    66 S   HC   _H13    60     1.10223   106.90070   -77.65494
   68    66 S   HC   _H14    61     1.09338   110.40870    35.11581
   69    65 S   CO4  _C15    53     1.48070   107.99726   -27.16587
   70    69 S   O    _O34    54     1.21746   127.16792  -166.94011
   71    65 S   CM   _C17    56     1.33568   130.76598   150.95439
   72    71 S   HC   _H17    57     1.08429   121.29897     1.09432
   73    71 S   HC   _H18    58     1.08515   121.65318  -178.93872
   74    61 S   OS   _O33    55     1.43936   110.03518    70.55941
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  18   2   1   1  17   7   6  14   6   5   5   2   1   1   8   5
  12   4   2   1  11  14   6   5   4   2   1   1  11   6  11   7
   9   5   1   1   5   2   3   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    47    66    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    47    48    49    63    66    67    68    40    41    42    51    43    44    45    46  
   35    36  
   36  
    0  
   38    39    47    48    49    50    53    66    40    41    42    51    52    43    44    45    46  
   39    47    48    49    40    51    43  
   47    48    49    40    51    43  
   41    42    43    44    45    46    47    61    63    64    65    66    67    68  
   42    43    63    66    67    68  
   43    63    66    67    68  
   44    45    46    47    66  
   45    46  
   46  
    0  
   48    49    50    53    54    57    51    52  
   49    50    53    51    52  
   50    53    54    55    56    61    57    58    59    60    51    52  
   53    54    57    51  
   52    53  
    0  
   54    55    56    61    62    63    74    57    58    59    60  
   55    56    61    62    63    64    65    69    74    66    57    58    59    60  
   56    61    62    63    74    57  
   61    62    63    74    57  
   58    59    60    61  
   59    60  
   60  
    0  
   62    63    64    65    69    70    74    71    66    67    68  
   63    64    65    69    74    66  
   64    65    69    70    74    71    72    73    66    67    68  
   65    69    74    71    66    67    68  
   69    70    74    71    72    73    66    67    68  
   67    68    69    71    74  
   68  
    0  
   70    74    71    72    73  
   74    71  
   72    73    74  
   73  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    47   268.000  1.529
   47    48   340.000  1.090
   47    49   317.000  1.510
   47    51   320.000  1.410
   49    50   340.000  1.080
   49    53   549.000  1.340
   53    54   317.000  1.510
   53    57   317.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    74   320.000  1.410
   63    64   340.000  1.090
   63    65   317.000  1.510
   63    66   268.000  1.529
   65    69   320.000  1.462
   65    71   549.000  1.340
   69    70   570.000  1.229
   69    74   214.000  1.327
   71    72   340.000  1.080
   71    73   340.000  1.080
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    40   268.000  1.529
   40    41   570.000  1.307
   40    42   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   51    52   553.000  0.945
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    47    58.35000  112.70000
   33    40    66    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    37.50000  110.70000
   37    47    49    70.00000  112.02700
   37    47    51    50.00000  109.50000
   39    37    38    33.00000  107.80000
   47    37    38    37.50000  110.70000
   47    37    39    37.50000  110.70000
   47    49    50    35.00000  117.00000
   47    49    53    70.00000  124.00000
   47    51    52    55.00000  108.50000
   49    47    48    35.00000  109.50000
   49    53    54    70.00000  124.00000
   49    53    57    70.00000  124.00000
   53    49    50    35.00000  120.00000
   53    54    55    35.00000  109.50000
   53    54    56    35.00000  109.50000
   53    54    61    70.00000  112.02700
   53    57    58    35.00000  109.50000
   53    57    59    35.00000  109.50000
   53    57    60    35.00000  109.50000
   54    61    62    37.50000  110.70000
   54    61    63    58.35000  112.70000
   54    61    74    50.00000  109.50000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    65    70.00000  112.02700
   61    63    66    58.35000  112.70000
   61    74    69    83.00000  116.90000
   63    61    62    37.50000  110.70000
   63    65    69    65.00000  116.34900
   63    65    71    70.00000  124.00000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    40    58.35000  112.70000
   65    63    64    35.00000  109.50000
   65    69    70    80.00000  123.72100
   65    69    74    90.00000  111.29400
   65    71    72    35.00000  120.00000
   65    71    73    35.00000  120.00000
   74    61    62    35.00000  109.50000
   74    61    63    50.00000  109.50000
   74    69    70    83.00000  123.40000
   71    65    69    65.00000  118.96000
   73    71    72    35.00000  117.00000
   66    63    64    37.50000  110.70000
   66    63    65    70.00000  112.02700
   66    40    41    50.00000  109.50000
   66    40    42    37.50000  110.70000
   68    66    67    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    66    67    37.50000  110.70000
   40    66    68    37.50000  110.70000
   42    40    41    45.00000  125.66300
   57    53    54    65.00000  117.92700
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   51    47    48    35.00000  109.50000
   51    47    49    90.00000  110.39200
   43    33    37    58.35000  112.70000
   43    33    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    47   0.44750  1.0 1.0
   29    33    37    47  -0.17800 -1.0 2.0
   29    33    37    47   0.20200  1.0 3.0
   29    33    40    66   0.44750  1.0 1.0
   29    33    40    66  -0.17800 -1.0 2.0
   29    33    40    66   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   0.15000  1.0 3.0
   33    37    47    49   0.34400  1.0 1.0
   33    37    47    49   0.09450 -1.0 2.0
   33    37    47    49   0.11100  1.0 3.0
   33    37    47    51   0.86500  1.0 1.0
   33    37    47    51  -0.17500 -1.0 2.0
   33    37    47    51   0.20800  1.0 3.0
   37    33    40    66   0.56750  1.0 1.0
   37    33    40    66  -0.07550 -1.0 2.0
   37    33    40    66   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    49    50   0.00000  1.0 1.0
   37    47    49    53   0.09850  1.0 1.0
   37    47    49    53   0.15250 -1.0 2.0
   37    47    49    53  -0.50650  1.0 3.0
   37    47    51    52  -0.11600  1.0 1.0
   37    47    51    52  -0.09450 -1.0 2.0
   37    47    51    52   0.21250  1.0 3.0
   38    37    47    48   0.15000  1.0 3.0
   38    37    47    49   0.15000  1.0 3.0
   38    37    47    51   0.23400  1.0 3.0
   39    37    47    48   0.15000  1.0 3.0
   39    37    47    49   0.15000  1.0 3.0
   39    37    47    51   0.23400  1.0 3.0
   47    49    53    54   7.00000 -1.0 2.0
   47    49    53    57   7.00000 -1.0 2.0
   48    47    49    50   0.33100  1.0 3.0
   48    47    49    53   0.00000  1.0 1.0
   48    47    51    52   0.19450  1.0 3.0
   49    47    51    52  -0.07800  1.0 1.0
   49    47    51    52  -0.21500 -1.0 2.0
   49    47    51    52  -0.03150  1.0 3.0
   49    53    54    55   0.00000  1.0 1.0
   49    53    54    56   0.00000  1.0 1.0
   49    53    54    61   0.09850  1.0 1.0
   49    53    54    61   0.15250 -1.0 2.0
   49    53    54    61  -0.50650  1.0 3.0
   49    53    57    58   0.00000  1.0 1.0
   49    53    57    59   0.00000  1.0 1.0
   49    53    57    60   0.00000  1.0 1.0
   50    49    53    54   7.00000 -1.0 2.0
   50    49    53    57   7.00000 -1.0 2.0
   53    54    61    62   0.15000  1.0 3.0
   53    54    61    63   0.34400  1.0 1.0
   53    54    61    63   0.09450 -1.0 2.0
   53    54    61    63   0.11100  1.0 3.0
   53    54    61    74   0.61850  1.0 1.0
   53    54    61    74  -0.22750 -1.0 2.0
   53    54    61    74   0.15300  1.0 3.0
   54    53    57    58   0.34800  1.0 3.0
   54    53    57    59   0.34800  1.0 3.0
   54    53    57    60   0.34800  1.0 3.0
   54    61    63    64   0.15000  1.0 3.0
   54    61    63    65   0.34400  1.0 1.0
   54    61    63    65   0.09450 -1.0 2.0
   54    61    63    65   0.11100  1.0 3.0
   54    61    63    66   0.56750  1.0 1.0
   54    61    63    66  -0.07550 -1.0 2.0
   54    61    63    66   0.20000  1.0 3.0
   54    61    74    69  -0.25900  1.0 1.0
   54    61    74    69  -0.47000 -1.0 2.0
   54    61    74    69   0.11750  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    74   0.23400  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    63   0.15000  1.0 3.0
   56    54    61    74   0.23400  1.0 3.0
   61    63   -65    69   0.09700  1.0 1.0
   61    63   -65    69   0.15600 -1.0 2.0
   61    63   -65    69  -0.50800  1.0 3.0
   61    63    65    71   0.09850  1.0 1.0
   61    63    65    71   0.15250 -1.0 2.0
   61    63    65    71  -0.50650  1.0 3.0
   61    63    66    67   0.15000  1.0 3.0
   61    63    66    68   0.15000  1.0 3.0
   61    63    66    40   0.56750  1.0 1.0
   61    63    66    40  -0.07550 -1.0 2.0
   61    63    66    40   0.20000  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    66   0.15000  1.0 3.0
   62    61    74    69   0.08050  1.0 3.0
   63    61   -74    69  -0.25900  1.0 1.0
   63    61   -74    69  -0.47000 -1.0 2.0
   63    61   -74    69   0.11750  1.0 3.0
   63    65    69    70  -0.64400  1.0 1.0
   63    65    69    70   0.26850 -1.0 2.0
   63    65   -69    74  -0.15000  1.0 1.0
   63    65   -69    74   0.89550 -1.0 2.0
   63    65   -69    74  -0.06900  1.0 3.0
   63    65    71    72   7.00000 -1.0 2.0
   63    65    71    73   7.00000 -1.0 2.0
   63    66    40    33   0.56750  1.0 1.0
   63    66    40    33  -0.07550 -1.0 2.0
   63    66    40    33   0.20000  1.0 3.0
   63    66    40    41   0.62750  1.0 1.0
   63    66    40    41  -0.30950 -1.0 2.0
   63    66    40    41   0.27300  1.0 3.0
   63    66    40    42   0.15000  1.0 3.0
   64    63    65    69   0.15000  1.0 3.0
   64    63    65    71   0.00000  1.0 1.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    40   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    40   0.34400  1.0 1.0
   65    63    66    40   0.09450 -1.0 2.0
   65    63    66    40   0.11100  1.0 3.0
   65    69   -74    61   2.00000 -1.0 2.0
   69    65    71    72   7.00000 -1.0 2.0
   69    65    71    73   7.00000 -1.0 2.0
   70    69    74    61   3.00000 -1.0 2.0
   74    61    63    64   0.23400  1.0 3.0
   74    61   -63    65   0.61850  1.0 1.0
   74    61   -63    65  -0.22750 -1.0 2.0
   74    61   -63    65   0.15300  1.0 3.0
   74    61    63    66   0.62750  1.0 1.0
   74    61    63    66  -0.30950 -1.0 2.0
   74    61    63    66   0.27300  1.0 3.0
   71    65    69    70   1.00000 -1.0 2.0
   71    65    69    74  -0.56150  1.0 1.0
   71    65    69    74   2.19150 -1.0 2.0
   66    63    65    69   0.09700  1.0 1.0
   66    63    65    69   0.15600 -1.0 2.0
   66    63    65    69  -0.50800  1.0 3.0
   66    63    65    71   0.09850  1.0 1.0
   66    63    65    71   0.15250 -1.0 2.0
   66    63    65    71  -0.50650  1.0 3.0
   67    66    40    33   0.15000  1.0 3.0
   67    66    40    41   0.23400  1.0 3.0
   67    66    40    42   0.15000  1.0 3.0
   68    66    40    33   0.15000  1.0 3.0
   68    66    40    41   0.23400  1.0 3.0
   68    66    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    47   0.56750  1.0 1.0
   40    33    37    47  -0.07550 -1.0 2.0
   40    33    37    47   0.20000  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    45   0.15000  1.0 3.0
   40    33    43    46   0.15000  1.0 3.0
   57    53    54    55   0.34800  1.0 3.0
   57    53    54    56   0.34800  1.0 3.0
   57    53    54    61   0.46850  1.0 1.0
   57    53    54    61   0.08550 -1.0 2.0
   57    53    54    61   0.09800  1.0 3.0
   51    47    49    50   0.00000  1.0 1.0
   51    47    49    53   0.67800  1.0 1.0
   51    47    49    53   0.47050 -1.0 2.0
   51    47    49    53  -0.62500  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    47   0.56750  1.0 1.0
   43    33    37    47  -0.07550 -1.0 2.0
   43    33    37    47   0.20000  1.0 3.0
   43    33    40    66   0.56750  1.0 1.0
   43    33    40    66  -0.07550 -1.0 2.0
   43    33    40    66   0.20000  1.0 3.0
   43    33    40    41   0.62750  1.0 1.0
   43    33    40    41  -0.30950 -1.0 2.0
   43    33    40    41   0.27300  1.0 3.0
   43    33    40    42   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   47    50    49    53   1.10000 -1.0 2.0
   54    57    53    49   1.10000 -1.0 2.0
   63    69    65    71   1.10000 -1.0 2.0
   65    74    69    70  10.50000 -1.0 2.0
   72    73    71    65   1.10000 -1.0 2.0
END
