* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    136    215     390
    1     0 S   NP   _N1_     1    28.99655    97.55928   -21.61661
    2     1 S   H    _HN1     2     1.02778    92.08922   -87.34220
    3     1 S   H    _H1_     3     1.02954    67.54498    21.70554
    4     1 S   H    _H2_     4     1.02829    50.17852   160.92850
    5     1 S   CT   _CA1     5     1.50124   154.07073   112.34212
    6     5 S   HC   _HA1     6     1.09568   105.21214    97.18020
    7     5 S   CO3  _C1_     7     1.53837   112.48421   -23.06636
    8     7 S   O2Z  _O11     8     1.26376   114.98195   -40.06639
    9     7 S   O2Z  _O12     9     1.26245   114.97431   139.11806
   10     5 S   CT   _CB1    10     1.53097   107.42928  -144.74617
   11    10 S   HC   HB11    11     1.09822   109.48502   -48.85102
   12    10 S   HC   HB12    12     1.09819   110.37261    67.81118
   13    10 S   CT   _CG1    13     1.52950   112.57754  -169.85840
   14    13 S   HC   HG11    14     1.09521   110.45101   -63.00808
   15    13 S   HC   HG12    15     1.09658   109.94584    56.14544
   16    13 S   C    _CD1    16     1.51784   112.41963   176.56903
   17    16 S   O    _OE1    17     1.22710   123.32644    -1.23115
   18    16 S   N    _N2_    18     1.38624   111.52095   178.93964
   19    18 S   H    _HN2    19     1.01575   118.92604     2.03115
   20    18 S   CT1  _CA2    20     1.46276   123.51347   179.69226
   21    20 S   HC   _HA2    21     1.09728   109.45471    -4.56399
   22    20 S   C    _C2_    22     1.53414   108.35167  -120.15308
   23    22 S   O    _O2_    23     1.23029   122.40652  -147.36309
   24    20 S   CT   _CB2    32     1.53298   111.21569   117.55388
   25    24 S   HC   HB21    33     1.09471   109.66659    55.73204
   26    24 S   HC   HB22    34     1.09509   110.72040   174.48132
   27    22 S   N    _N3_    24     1.38371   113.50709    40.04357
   28    27 S   H    _HN3    25     1.01624   119.49928    -3.50733
   29    24 S   S    _SG2    35     1.82730   111.23492   -66.08636
   30    27 S   CT   _CA3    26     1.45289   123.15740   177.05011
   31    30 S   HC   HA31    27     1.09551   107.50585   -64.30230
   32    30 S   HC   HA32    28     1.09558   107.97562    52.11687
   33    29 S   CT   _C8_    36     1.84891    99.75114   162.16939
   34    33 S   HC   _H4_    37     1.09615   106.45081    36.79349
   35    30 S   CO3  _C3_    29     1.52944   114.11519   174.09376
   36    35 S   O2Z  _O31    30     1.26369   116.05014    -1.42519
   37    35 S   O2Z  _O32    31     1.26428   114.41701   178.64824
   38    33 S   CT   _C9_    38     1.53734   108.54461   152.83868
   39    38 S   HC   _H10    39     1.09726   109.51789   170.90822
   40    38 S   HC   _H11    40     1.09704   110.84113    53.56705
   41    33 S   CT   _C7_    44     1.55412   110.79422   -80.83709
   42    41 S   HC   _H3_    45     1.10074   107.51662    57.79021
   43    38 S   CO3  _C10    41     1.53595   116.31096   -70.34486
   44    43 S   O2Z  _O34    42     1.26499   114.31456   155.59912
   45    43 S   O2Z  _O33    43     1.26178   116.38103   -25.23855
   46    41 S   C5B  _C5_    46     1.50776   115.45094   -60.28730
   47    41 S   C    _C11    55     1.53356   111.29110   171.54655
   48    47 S   O    _O35    56     1.22880   123.87370   109.38481
   49    46 S   C5A  _C4_    47     1.38286   125.65718   115.77673
   50    49 S   HA   _H7_    48     1.08068   128.50521     0.24228
   51    47 S   N    _N6_    57     1.38965   112.60813   -71.54427
   52    51 S   H    _H12    58     1.01734   118.52303     1.34144
   53    49 S   SA   _S1_    49     1.70903   110.25652  -179.28154
   54    51 S   C4T  _C12    59     1.47864   122.67821  -178.73793
   55    54 S   HC   _H5_    60     1.09620   111.86358    39.29318
   56    53 S   CRA  _C6_    50     1.72235    89.87588    -0.37378
   57    54 S   C4   _C14    61     1.56381   114.31479   -90.99251
   58    57 S   O    _O36    62     1.20842   136.43992    66.16331
   59    54 S   C4T  _C13    71     1.55285   116.93680   171.79371
   60    59 S   HC   _H6_    72     1.09712   113.11812  -139.07519
   61    46 S   N5B  _N4_    51     1.38627   120.06226   -64.17877
   62    56 S   NE   _N5_    52     1.34644   120.36660   179.95154
   63    62 S   H    _H8_    53     1.01398   121.34200  -179.72732
   64    62 S   H    _H9_    54     1.01377   121.95260    -0.22468
   65    57 S   N4   _N7_    63     1.34850    89.64810  -109.97104
   66    65 S   CM   _C15    64     1.35536   138.43108   171.76527
   67    66 S   CM   _C16    65     1.34651   120.66697  -164.33531
   68    67 S   HC   _H13    66     1.08856   119.14925  -179.24749
   69    66 S   CO3  _C18    73     1.53712   121.65464    13.58596
   70    69 S   O2Z  _O38    74     1.26473   115.64207  -124.72065
   71    69 S   O2Z  _O37    75     1.26521   114.86897    55.87569
   72    67 S   CT   _C17    67     1.50790   125.74979     3.51413
   73    72 S   HC   _H14    68     1.09459   109.09673   138.33460
   74    72 S   HC   _H15    69     1.09470   109.64428  -103.80340
   75    72 S   S    _S2_    70     1.82773   113.55963    18.93551
  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
  15   8   2   1   1   9   5   4  13   6   2   1   1   9   9   3
   5   3   9   4   5   9   6   4   8   3   9   4   3   2   1   1
   8   9   8   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    41    42    46    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    41    42    46    49    61    47    48    51  
   38    39    40    43    41    42    46    47  
   36    37  
   37  
    0  
   39    40    43    44    45    41    42    46    47  
   40    43    44    45    41  
   43    44    45    41  
   42    46    49    50    53    56    61    47    48    51    52    54    43  
   46    49    61    47    48    51  
   44    45  
   45  
    0  
   49    50    53    56    61    62    47    48    51  
   48    51    52    54    55    57    59    49    61  
   51    52    54  
   50    53    56    61    62  
   53    56    61  
   52    54    55    57    58    65    75    59    60  
   54    55    57    59  
   56    61    62    63    64  
   55    57    58    65    66    72    75    59    60  
   57    58    65    75    59    60  
   61    62    63    64  
   58    65    66    67    75    59    60    69  
   65    66    59  
   60    69    65    66    67    72    73    74    75  
   65    66    72    75  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68    72    75    69    70    71  
   67    68    72    73    74    75    69    70    71  
   68    72    73    74    75    69    70    71  
   72    73    74    75    69  
   70    71    72  
   71  
    0  
   73    74    75  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.3810   1.2100   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  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5000   0.0660   0.055000   2.4950   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   3.5500   0.0700   0.169300   2.0020   1.7750   0.001000000  -0.843144165
   47   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   49   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   51   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   52   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   53   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   54   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0700   0.500900   2.0020   1.7750   0.001000000  -0.843144165
   57   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   59   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   62   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   63   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   64   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   66   3.5500   0.0760  -0.259000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   72   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
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   317.000  1.522
   43    44   656.000  1.250
   43    45   656.000  1.250
   41    42   340.000  1.090
   41    46   295.000  1.494
   41    47   317.000  1.522
   46    49   520.000  1.370
   46    61   410.000  1.394
   49    50   367.000  1.080
   49    53   265.000  1.745
   53    56   250.000  1.765
   56    61   488.000  1.335
   56    62   420.000  1.385
   62    63   434.000  1.010
   62    64   434.000  1.010
   47    48   570.000  1.229
   47    51   490.000  1.335
   51    52   434.000  1.010
   51    54   337.000  1.449
   54    55   340.000  1.090
   54    57   250.000  1.540
   54    59   268.000  1.529
   57    58   930.000  1.212
   57    65   440.000  1.369
   65    66   400.000  1.384
   65    59   305.000  1.456
   66    67   549.000  1.340
   66    69   230.000  1.545
   67    68   340.000  1.080
   67    72   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   222.000  1.810
   75    59   200.000  1.824
   59    60   340.000  1.090
   69    70   656.000  1.250
   69    71   656.000  1.250
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    70.00000  109.69300
   33    41    42    37.50000  110.70000
   33    41    46    70.00000  112.62400
   33    41    47    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    43    44    70.00000  117.00000
   38    43    45    70.00000  117.00000
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   45    43    44    80.00000  126.00000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    46    49    55.00000  127.77900
   41    46    61    65.00000  120.63000
   41    47    48    80.00000  120.40000
   41    47    51    70.00000  116.60000
   46    41    42    45.00000  111.11700
   46    49    50    35.00000  130.70000
   46    49    53    80.00000  111.29200
   46    61    56    70.00000  110.00000
   49    53    56   120.00000   89.04400
   53    49    50    40.00000  122.38200
   53    56    61    80.00000  114.57700
   53    56    62    70.00000  122.29500
   56    62    63    35.00000  113.50000
   56    62    64    35.00000  113.50000
   61    46    49    70.00000  111.00000
   62    56    61    75.00000  125.31200
   64    62    63    35.00000  109.00000
   47    41    42    35.00000  109.50000
   47    41    46    70.00000  109.44300
   47    51    52    35.00000  119.80000
   47    51    54    50.00000  121.90000
   51    47    48    80.00000  122.90000
   51    54    55    50.00000  112.01000
   51    54    57    75.00000  110.24000
   51    54    59    80.00000  110.05700
   54    51    52    38.00000  118.40000
   54    57    58    60.00000  136.58000
   54    57    65    95.00000   92.72400
   54    59    65   105.00000   87.49700
   54    59    75    65.00000  119.05700
   54    59    60    37.50000  110.70000
   57    54    55    40.00000  113.37500
   57    65    66    50.00000  132.10000
   57    65    59   100.00000   93.00000
   65    57    58    75.00000  131.60000
   65    66    67    75.00000  120.83300
   65    66    69    80.00000  114.48000
   65    59    75    80.00000  108.62000
   65    59    60    50.00000  112.01000
   66    67    68    35.00000  120.00000
   66    67    72    70.00000  124.00000
   66    69    70    85.00000  113.83300
   66    69    71    85.00000  113.83300
   67    72    73    35.00000  109.50000
   67    72    74    35.00000  109.50000
   67    72    75    75.00000  112.20000
   72    67    68    35.00000  117.00000
   72    75    59    85.00000   99.86700
   74    72    73    33.00000  107.80000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   75    59    60    45.00000  109.41400
   59    54    55    37.50000  110.70000
   59    54    57   100.00000   86.36000
   59    65    66    50.00000  132.70000
   69    66    67    55.00000  124.75400
   71    69    70    80.00000  126.00000
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   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    46   0.56750  1.0 1.0
   29    33    41    46  -0.07550 -1.0 2.0
   29    33    41    46   0.20000  1.0 3.0
   29    33    41    47   0.56750  1.0 1.0
   29    33    41    47  -0.07550 -1.0 2.0
   29    33    41    47   0.20000  1.0 3.0
   33    38    43    44   0.41150 -1.0 2.0
   33    38    43    45   0.41150 -1.0 2.0
   33    41    46    49   0.04150 -1.0 2.0
   33    41    46    61   0.29300  1.0 1.0
   33    41    46    61  -1.19700 -1.0 2.0
   33    41    46    61   0.60900  1.0 3.0
   33    41    47    48   0.30150 -1.0 2.0
   33    41    47    51   1.39750  1.0 1.0
   33    41    47    51  -0.07950 -1.0 2.0
   33    41    47    51  -0.18750  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  -0.11250  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    46   0.43200  1.0 3.0
   34    33    41    47  -0.11250  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    46  -0.03700  1.0 1.0
   38    33    41    46   0.37200 -1.0 2.0
   38    33    41    46  -0.47300  1.0 3.0
   38    33    41    47  -0.95700  1.0 1.0
   38    33    41    47  -0.18200 -1.0 2.0
   38    33    41    47   0.29450  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    45   0.00000  1.0 1.0
   40    38    43    44   0.00000  1.0 1.0
   40    38    43    45   0.00000  1.0 1.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43  -1.63150  1.0 1.0
   41    33    38    43  -0.43550 -1.0 2.0
   41    33    38    43   0.24500  1.0 3.0
   41    46    49    50   3.62500 -1.0 2.0
   41    46    49    53   3.62500 -1.0 2.0
   41    46    61    56   3.62500 -1.0 2.0
   41    47    51    52   2.45000 -1.0 2.0
   41    47    51    54   1.49850  1.0 1.0
   41    47    51    54   1.53950 -1.0 2.0
   42    41    46    49   0.00000  1.0 1.0
   42    41    46    61   0.00000  1.0 1.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    51   0.00000  1.0 1.0
   46    41    47    48   0.30150 -1.0 2.0
   46    41    47    51   0.00000  1.0 1.0
   46    49   -53    56   3.62500 -1.0 2.0
   49    46   -61    56   2.40000 -1.0 2.0
   49    53   -56    61   3.62500 -1.0 2.0
   49    53    56    62   3.62500 -1.0 2.0
   50    49    53    56   3.62500 -1.0 2.0
   53    56   -61    46   3.62500 -1.0 2.0
   53    56    62    63   0.47600 -1.0 2.0
   53    56    62    64   0.47600 -1.0 2.0
   61    46    49    50   3.62500 -1.0 2.0
   61    46   -49    53   3.62500 -1.0 2.0
   61    56    62    63   1.75000 -1.0 2.0
   61    56    62    64   1.75000 -1.0 2.0
   62    56    61    46   3.62500 -1.0 2.0
   47    41    46    49   0.04300 -1.0 2.0
   47    41    46    61   0.04300 -1.0 2.0
   47    51    54    55   0.00000  1.0 1.0
   47    51    54    57  -0.42300  1.0 1.0
   47    51    54    57  -0.07000 -1.0 2.0
   47    51    54    57   0.04150  1.0 3.0
   47    51    54    59  -0.43950  1.0 1.0
   47    51    54    59  -0.08100 -1.0 2.0
   47    51    54    59   0.03350  1.0 3.0
   48    47    51    52   2.45000 -1.0 2.0
   48    47    51    54   3.04450 -1.0 2.0
   51    54    57    58   0.30150 -1.0 2.0
   51    54    57    65   0.00000  1.0 1.0
   51    54   -59    65   2.20050  1.0 1.0
   51    54   -59    65   0.63450 -1.0 2.0
   51    54   -59    65  -0.91300  1.0 3.0
   51    54    59    75   0.00000  1.0 1.0
   51    54    59    60   0.15000  1.0 3.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    57   0.00000  1.0 1.0
   52    51    54    59   0.00000  1.0 1.0
   54    57    65    66   3.00000 -1.0 2.0
   54    57   -65    59   3.00000 -1.0 2.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    65   0.00000  1.0 1.0
   55    54   -59    65   0.15000  1.0 3.0
   55    54    59    75   0.00000  1.0 1.0
   55    54    59    60   0.15000  1.0 3.0
   57    54   -59    65   3.00000 -1.0 2.0
   57    54    59    75   0.00000  1.0 1.0
   57    54    59    60   0.15000  1.0 3.0
   57    65    66    67   0.00000  1.0 1.0
   57    65    66    69   0.00000  1.0 1.0
   57    65   -59    54   0.00000  1.0 1.0
   57    65   -59    75   0.00000  1.0 1.0
   57    65   -59    60   0.00000  1.0 1.0
   58    57    65    66   3.00000 -1.0 2.0
   58    57    65    59   3.00000 -1.0 2.0
   65    66    67    68   7.00000 -1.0 2.0
   65    66    67    72   7.00000 -1.0 2.0
   65    66    69    70   1.91650 -1.0 2.0
   65    66    69    71   1.91650 -1.0 2.0
   66    65   -59    54   0.00000  1.0 1.0
   66    65    59    75   0.00000  1.0 1.0
   66    65    59    60   0.00000  1.0 1.0
   66    67    72    73   0.00000  1.0 1.0
   66    67    72    74   0.00000  1.0 1.0
   66    67   -72    75   0.42700  1.0 1.0
   66    67   -72    75  -0.70350 -1.0 2.0
   66    67   -72    75  -0.43150  1.0 3.0
   67    66    69    70  -0.04000 -1.0 2.0
   67    66    69    70  -0.29050  1.0 3.0
   67    66    69    71  -0.04000 -1.0 2.0
   67    66    69    71  -0.29050  1.0 3.0
   67    72    75    59  -0.70200  1.0 1.0
   67    72    75    59  -0.14350 -1.0 2.0
   67    72    75    59   0.55200  1.0 3.0
   68    67    72    73   0.33100  1.0 3.0
   68    67    72    74   0.33100  1.0 3.0
   68    67    72    75   0.00000  1.0 1.0
   72    75    59    54   0.25150  1.0 1.0
   72    75    59    54  -1.17200 -1.0 2.0
   72    75    59    54   0.53050  1.0 3.0
   72    75   -59    65   0.01700  1.0 1.0
   72    75   -59    65  -0.23550 -1.0 2.0
   72    75   -59    65   0.21350  1.0 3.0
   72    75    59    60   0.00000  1.0 1.0
   73    72    75    59   0.32350  1.0 3.0
   74    72    75    59   0.32350  1.0 3.0
   59    54   -57    58  -0.11250  1.0 1.0
   59    54   -57    58   0.11400 -1.0 2.0
   59    54   -57    58  -0.28950  1.0 3.0
   59    54   -57    65   3.00000 -1.0 2.0
   59    65   -66    67   0.00000  1.0 1.0
   59    65    66    69   0.00000  1.0 1.0
   69    66    67    68   7.00000 -1.0 2.0
   69    66    67    72   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   44    38    43    45  10.50000 -1.0 2.0
   49    61    46    41   4.00000 -1.0 2.0
   53    50    49    46   1.10000 -1.0 2.0
   61    62    56    53   4.00000 -1.0 2.0
   64    56    62    63   1.00000 -1.0 2.0
   41    51    47    48  10.50000 -1.0 2.0
   52    47    51    54   1.00000 -1.0 2.0
   54    65    57    58  10.50000 -1.0 2.0
   59    57    65    66   1.00000 -1.0 2.0
   65    69    66    67   1.10000 -1.0 2.0
   72    68    67    66   1.10000 -1.0 2.0
   70    66    69    71  10.50000 -1.0 2.0
END
