* LIGAND DATABASE FILE (OPLS2005)
*
001      71    71    124    199     377
    1     0 S   NP   _N1_     1    28.54173    95.95465   -21.26753
    2     1 S   H    _HN1     2     1.02779    89.73813   -79.38649
    3     1 S   H    _H1_     3     1.02959    81.24359    29.19813
    4     1 S   H    _H2_     4     1.02836    38.80705   160.88458
    5     1 S   CT   _CA1     5     1.50118   148.74432   144.41156
    6     5 S   HC   _HA1     6     1.09576   105.23168    70.12170
    7     5 S   CO3  _C1_     7     1.53778   112.35654   -50.08895
    8     7 S   O2Z  _O11     8     1.26359   115.00302   -44.88483
    9     7 S   O2Z  _O12     9     1.26237   114.91198   134.26038
   10     5 S   CT   _CB1    10     1.53092   107.42820  -171.99467
   11    10 S   HC   HB11    11     1.09827   109.31799   -50.95694
   12    10 S   HC   HB12    12     1.09818   110.43034    65.58207
   13    10 S   CT   _CG1    13     1.53017   112.67858  -172.05404
   14    13 S   HC   HG11    14     1.09596   110.46541   -64.08272
   15    13 S   HC   HG12    15     1.09654   109.96611    55.14476
   16    13 S   C    _CD1    16     1.51820   112.28941   175.48755
   17    16 S   O    _OE1    17     1.22735   123.26859    -0.89021
   18    16 S   N    _N2_    18     1.38651   111.68607   179.21665
   19    18 S   H    _HN2    19     1.01595   119.04088     0.80162
   20    18 S   CT1  _CA2    20     1.46138   123.28857   179.38994
   21    20 S   HC   _HA2    21     1.09742   109.33622    -8.50233
   22    20 S   C    _C2_    22     1.53457   108.52308  -124.06099
   23    22 S   O    _O2_    23     1.23034   122.13121  -146.43644
   24    20 S   CT   _CB2    32     1.53436   111.74811   113.50628
   25    24 S   HC   HB21    33     1.09435   109.91713    56.65301
   26    24 S   HC   HB22    34     1.09525   109.88673   175.48031
   27    22 S   N    _N3_    24     1.38467   113.47754    40.99733
   28    27 S   H    _HN3    25     1.01515   118.96505    -0.71764
   29    24 S   S    _SG2    35     1.82740   111.83219   -64.86101
   30    27 S   CT   _CA3    26     1.45450   123.45512   174.92758
   31    30 S   HC   HA31    27     1.09521   109.26543    24.17905
   32    30 S   HC   HA32    28     1.09496   107.12825   141.20200
   33    29 S   CT   _C7_    36     1.84765    99.98502  -175.70659
   34    33 S   HC   _H6_    37     1.09683   107.38305    26.29920
   35    30 S   CO3  _C3_    29     1.52922   113.04289   -99.30016
   36    35 S   O2Z  _O31    30     1.26407   115.37796   -45.01429
   37    35 S   O2Z  _O32    31     1.26350   114.99756   135.87855
   38    33 S   CT   _C6_    38     1.54416   108.15358   143.90732
   39    38 S   HC   _H5_    39     1.09722   109.44407    53.93083
   40    38 S   CT   _C5_    40     1.53636   110.89181   175.32559
   41    40 S   HC   _H4_    41     1.09710   109.23130    69.02711
   42    38 S   NG   _N4_    63     1.49720   109.32459   -63.87890
   43    42 S   H    _H11    64     1.01731   117.94979   -24.34648
   44    40 S   CT   _C4_    42     1.53964   113.28919   -53.59173
   45    44 S   HC   _H3_    43     1.09750   108.98423   -70.16413
   46    40 S   OH   _O35    61     1.43017   109.42864  -174.94600
   47    46 S   HO   _H16    62     0.97238   108.54915    75.10194
   48    42 S   CG   _C10    65     1.38465   125.28386   149.55573
   49    44 S   CT   _C9_    44     1.53123   111.46227    52.54394
   50    49 S   HC   _H8_    45     1.09695   110.13966    72.52993
   51    44 S   NG   _N7_    52     1.49802   108.20592   174.90253
   52    51 S   H    _H17    53     1.01756   117.97733   -14.20724
   53    48 S   NG   _N6_    66     1.38178   118.84877  -178.10586
   54    53 S   H    _H14    67     1.01598   121.42260    -0.09891
   55    53 S   H    _H15    68     1.01610   121.18091   179.83214
   56    48 S   NG   _N5_    69     1.37870   122.48137     1.57271
   57    56 S   H    _H12    70     1.01610   120.90610  -179.67135
   58    56 S   H    _H13    71     1.01365   122.06629     1.13367
   59    33 S   CT   _C8_    46     1.53392   110.39187   -93.54840
   60    59 S   HC   _H7_    47     1.09758   110.74799   -51.94897
   61    49 S   OH   _O33    50     1.43020   108.88969  -170.79508
   62    61 S   HO   _H9_    51     0.97437   107.12813   175.30447
   63    51 S   CG   _C11    54     1.38535   125.12284   158.03577
   64    59 S   OH   _O34    48     1.43090   110.65490    65.94395
   65    64 S   HO   _H10    49     0.97276   108.35402    57.24068
   66    63 S   NG   _N9_    55     1.38133   118.95131  -175.59429
   67    66 S   H    _H20    56     1.01595   121.44372    -0.34605
   68    66 S   H    _H21    57     1.01613   121.14684   179.86583
   69    63 S   NG   _N8_    58     1.37690   122.24402     3.92022
   70    69 S   H    _H18    59     1.01559   121.35641  -178.80351
   71    69 S   H    _H19    60     1.01698   121.11968     6.02031
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   8   2   1   1  17   8  15   7  11   3  15   8   3   1   6
  10   6  10   3   5   2   1   2   1   1   5   3   2   1   6   1
   1   5   2   1   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    59    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    59    60    64    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    49    50    59    60    64    65    61    46    42    43    48  
   38    39    40    49    59    60    64    42  
   36    37  
   37  
    0  
   39    40    41    44    45    49    59    60    64    51    46    47    42    43    48    53    56  
   40    41    44    59    46    42    43    48  
   41    44    45    49    50    59    61    51    52    63    46    47    42    43    48  
   44    45    49    51    46    47    42  
   43    48    53    54    55    56    57    58    44    46    59  
   48    53    56  
   45    49    50    59    60    64    61    62    51    52    63    66    69    46    47  
   49    50    59    61    51    52    63    46  
   47    49    51  
    0  
   53    54    55    56    57    58  
   50    59    60    64    65    61    62    51    52    63  
   59    60    64    61    62    51  
   52    63    66    67    68    69    70    71    59    61  
   63    66    69  
   54    55    56    57    58  
   55    56  
   56  
   57    58  
   58  
    0  
   60    64    65    61    62  
   64    65    61  
   62    64  
    0  
   66    67    68    69    70    71  
   65  
    0  
   67    68    69    70    71  
   68    69  
   69  
   70    71  
   71  
    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   0.177500   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   0.133000   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   0.345000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.528167   2.1120   1.8750   0.051222218  -2.220205820
   43   0.5000   0.0300   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.133000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   2.2500   0.0500   0.837600   2.1120   1.8750   0.001000000  -0.126889456
   49   3.5000   0.0660   0.275000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.2500   0.1700  -0.528167   2.1120   1.8750   0.051222218  -2.220205820
   52   0.5000   0.0300   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   53   3.2500   0.1700  -0.913767   2.1120   1.8750   0.051222218  -2.220205820
   54   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   55   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.2500   0.1700  -0.913767   2.2900   2.0360   0.003973653   1.685851020
   57   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   58   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   2.2500   0.0500   0.837600   2.1120   1.8750   0.001000000  -0.126889456
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.2500   0.1700  -0.913767   2.1120   1.8750   0.051222218  -2.220205820
   67   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   68   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.2500   0.1700  -0.913767   2.2900   2.0360   0.003973653   1.685851020
   70   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   71   0.5000   0.0300   0.460000   0.9960   0.8600   0.030040813  -0.651083722
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    59   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   337.000  1.463
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    49   268.000  1.529
   44    51   337.000  1.463
   49    50   340.000  1.090
   49    59   268.000  1.529
   49    61   320.000  1.410
   59    60   340.000  1.090
   59    64   320.000  1.410
   64    65   553.000  0.945
   61    62   553.000  0.945
   51    52   434.000  1.010
   51    63   481.000  1.340
   63    66   481.000  1.340
   63    69   481.000  1.340
   66    67   434.000  1.010
   66    68   434.000  1.010
   69    70   434.000  1.010
   69    71   434.000  1.010
   46    47   553.000  0.945
   42    43   434.000  1.010
   42    48   481.000  1.340
   48    53   481.000  1.340
   48    56   481.000  1.340
   53    54   434.000  1.010
   53    55   434.000  1.010
   56    57   434.000  1.010
   56    58   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    59    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    80.00000  111.20000
   33    59    49    58.35000  112.70000
   33    59    60    37.50000  110.70000
   33    59    64    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    35.00000  118.40000
   38    42    48    50.00000  123.20000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    49    58.35000  112.70000
   40    44    51    80.00000  111.20000
   40    46    47    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    49    50    37.50000  110.70000
   44    49    59    58.35000  112.70000
   44    49    61    50.00000  109.50000
   44    51    52    35.00000  118.40000
   44    51    63    50.00000  123.20000
   49    44    45    37.50000  110.70000
   49    59    60    37.50000  110.70000
   49    59    64    50.00000  109.50000
   49    61    62    55.00000  108.50000
   59    33    34    37.50000  110.70000
   59    33    38    58.35000  112.70000
   59    49    50    37.50000  110.70000
   59    64    65    55.00000  108.50000
   64    59    60    35.00000  109.50000
   61    49    50    35.00000  109.50000
   61    49    59    50.00000  109.50000
   51    44    45    35.00000  109.50000
   51    44    49    80.00000  111.20000
   51    63    66    70.00000  120.00000
   51    63    69    70.00000  120.00000
   63    51    52    35.00000  120.00000
   63    66    67    35.00000  120.00000
   63    66    68    35.00000  120.00000
   63    69    70    35.00000  120.00000
   63    69    71    35.00000  120.00000
   68    66    67    35.00000  120.00000
   69    63    66    70.00000  120.00000
   71    69    70    35.00000  120.00000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    80.00000  111.20000
   42    48    53    70.00000  120.00000
   42    48    56    70.00000  120.00000
   48    42    43    35.00000  120.00000
   48    53    54    35.00000  120.00000
   48    53    55    35.00000  120.00000
   48    56    57    35.00000  120.00000
   48    56    58    35.00000  120.00000
   55    53    54    35.00000  120.00000
   56    48    53    70.00000  120.00000
   58    56    57    35.00000  120.00000
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    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   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    59    49   0.44750  1.0 1.0
   29    33    59    49  -0.17800 -1.0 2.0
   29    33    59    49   0.20200  1.0 3.0
   29    33    59    60   0.15000  1.0 3.0
   29    33    59    64   0.56750  1.0 1.0
   29    33    59    64  -0.07550 -1.0 2.0
   29    33    59    64   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.86500  1.0 1.0
   33    38    40    46  -0.17500 -1.0 2.0
   33    38    40    46   0.20800  1.0 3.0
   33    38    42    43  -0.09500  1.0 1.0
   33    38    42    43  -0.20850 -1.0 2.0
   33    38    42    43   0.20900  1.0 3.0
   33    38    42    48   0.25550 -1.0 2.0
   33    59    64    65  -0.11600  1.0 1.0
   33    59    64    65  -0.09450 -1.0 2.0
   33    59    64    65   0.21250  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  -0.29100  1.0 3.0
   34    33    59    49   0.15000  1.0 3.0
   34    33    59    60   0.15000  1.0 3.0
   34    33    59    64   0.23400  1.0 3.0
   38    33    59    49   0.56750  1.0 1.0
   38    33    59    49  -0.07550 -1.0 2.0
   38    33    59    49   0.20000  1.0 3.0
   38    33    59    60   0.15000  1.0 3.0
   38    33    59    64   0.86500  1.0 1.0
   38    33    59    64  -0.17500 -1.0 2.0
   38    33    59    64   0.20800  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    49   0.56750  1.0 1.0
   38    40   -44    49  -0.07550 -1.0 2.0
   38    40   -44    49   0.20000  1.0 3.0
   38    40    44    51   0.86200  1.0 1.0
   38    40    44    51   0.12850 -1.0 2.0
   38    40    44    51   0.15950  1.0 3.0
   38    40    46    47  -0.11600  1.0 1.0
   38    40    46    47  -0.09450 -1.0 2.0
   38    40    46    47   0.21250  1.0 3.0
   38    42    48    53   3.96800 -1.0 2.0
   38    42    48    56   3.96800 -1.0 2.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    48   0.08850  1.0 3.0
   40    38    42    43  -0.09500  1.0 1.0
   40    38    42    43  -0.20850 -1.0 2.0
   40    38    42    43   0.20900  1.0 3.0
   40    38    42    48   0.25550 -1.0 2.0
   40    44    49    50   0.15000  1.0 3.0
   40    44    49    59   0.56750  1.0 1.0
   40    44    49    59  -0.07550 -1.0 2.0
   40    44    49    59   0.20000  1.0 3.0
   40    44    49    61   0.86500  1.0 1.0
   40    44    49    61  -0.17500 -1.0 2.0
   40    44    49    61   0.20800  1.0 3.0
   40    44    51    52  -0.09500  1.0 1.0
   40    44    51    52  -0.20850 -1.0 2.0
   40    44    51    52   0.20900  1.0 3.0
   40    44    51    63   0.25550 -1.0 2.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    49   0.15000  1.0 3.0
   41    40    44    51  -0.29100  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   44    40    46    47  -0.11600  1.0 1.0
   44    40    46    47  -0.09450 -1.0 2.0
   44    40    46    47   0.21250  1.0 3.0
   44    49   -59    33   0.56750  1.0 1.0
   44    49   -59    33  -0.07550 -1.0 2.0
   44    49   -59    33   0.20000  1.0 3.0
   44    49    59    60   0.15000  1.0 3.0
   44    49    59    64   0.86500  1.0 1.0
   44    49    59    64  -0.17500 -1.0 2.0
   44    49    59    64   0.20800  1.0 3.0
   44    49    61    62  -0.11600  1.0 1.0
   44    49    61    62  -0.09450 -1.0 2.0
   44    49    61    62   0.21250  1.0 3.0
   44    51    63    66   3.96800 -1.0 2.0
   44    51    63    69   3.96800 -1.0 2.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    59   0.15000  1.0 3.0
   45    44    49    61   0.23400  1.0 3.0
   45    44    51    52   0.00000  1.0 1.0
   45    44    51    63   0.08850  1.0 3.0
   49    44    51    52  -0.09500  1.0 1.0
   49    44    51    52  -0.20850 -1.0 2.0
   49    44    51    52   0.20900  1.0 3.0
   49    44    51    63   0.25550 -1.0 2.0
   49    59    64    65  -0.11600  1.0 1.0
   49    59    64    65  -0.09450 -1.0 2.0
   49    59    64    65   0.21250  1.0 3.0
   50    49    59    33   0.15000  1.0 3.0
   50    49    59    60   0.15000  1.0 3.0
   50    49    59    64   0.23400  1.0 3.0
   50    49    61    62   0.19450  1.0 3.0
   59    33    38    39   0.15000  1.0 3.0
   59    33   -38    40   0.56750  1.0 1.0
   59    33   -38    40  -0.07550 -1.0 2.0
   59    33   -38    40   0.20000  1.0 3.0
   59    33    38    42   0.86200  1.0 1.0
   59    33    38    42   0.12850 -1.0 2.0
   59    33    38    42   0.15950  1.0 3.0
   59    49    61    62  -0.11600  1.0 1.0
   59    49    61    62  -0.09450 -1.0 2.0
   59    49    61    62   0.21250  1.0 3.0
   60    59    64    65   0.19450  1.0 3.0
   61    49    59    33   0.86500  1.0 1.0
   61    49    59    33  -0.17500 -1.0 2.0
   61    49    59    33   0.20800  1.0 3.0
   61    49    59    60   0.23400  1.0 3.0
   61    49    59    64   3.75450  1.0 1.0
   51    44    49    50  -0.29100  1.0 3.0
   51    44    49    59   0.86200  1.0 1.0
   51    44    49    59   0.12850 -1.0 2.0
   51    44    49    59   0.15950  1.0 3.0
   51    44    49    61   4.07950  1.0 1.0
   51    44    49    61  -0.26450 -1.0 2.0
   51    44    49    61  -0.12150  1.0 3.0
   51    63    66    67   1.50000 -1.0 2.0
   51    63    66    68   1.50000 -1.0 2.0
   51    63    69    70   1.50000 -1.0 2.0
   51    63    69    71   1.50000 -1.0 2.0
   52    51    63    66   1.50000 -1.0 2.0
   52    51    63    69   1.50000 -1.0 2.0
   66    63    69    70   1.50000 -1.0 2.0
   66    63    69    71   1.50000 -1.0 2.0
   69    63    66    67   1.50000 -1.0 2.0
   69    63    66    68   1.50000 -1.0 2.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    49   0.86500  1.0 1.0
   46    40    44    49  -0.17500 -1.0 2.0
   46    40    44    49   0.20800  1.0 3.0
   46    40    44    51   4.07950  1.0 1.0
   46    40    44    51  -0.26450 -1.0 2.0
   46    40    44    51  -0.12150  1.0 3.0
   42    38    40    41  -0.29100  1.0 3.0
   42    38    40    44   0.86200  1.0 1.0
   42    38    40    44   0.12850 -1.0 2.0
   42    38    40    44   0.15950  1.0 3.0
   42    38    40    46   4.07950  1.0 1.0
   42    38    40    46  -0.26450 -1.0 2.0
   42    38    40    46  -0.12150  1.0 3.0
   42    48    53    54   1.50000 -1.0 2.0
   42    48    53    55   1.50000 -1.0 2.0
   42    48    56    57   1.50000 -1.0 2.0
   42    48    56    58   1.50000 -1.0 2.0
   43    42    48    53   1.50000 -1.0 2.0
   43    42    48    56   1.50000 -1.0 2.0
   53    48    56    57   1.50000 -1.0 2.0
   53    48    56    58   1.50000 -1.0 2.0
   56    48    53    54   1.50000 -1.0 2.0
   56    48    53    55   1.50000 -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
   52    63    51    44   1.00000 -1.0 2.0
   51    66    63    69  10.50000 -1.0 2.0
   68    63    66    67   1.00000 -1.0 2.0
   70    71    69    63   1.00000 -1.0 2.0
   43    48    42    38   1.00000 -1.0 2.0
   42    53    48    56  10.50000 -1.0 2.0
   55    48    53    54   1.00000 -1.0 2.0
   57    58    56    48   1.00000 -1.0 2.0
END
