* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    142    222     424
    1     0 S   NP   _N1_     1    28.90444    96.23522   -25.92848
    2     1 S   H    _HN1     2     1.02944    71.97183     1.00949
    3     1 S   H    _H1_     3     1.02825    35.51830  -170.21570
    4     1 S   H    _H2_     4     1.02801   124.66760   -99.25311
    5     1 S   CT   _CA1     5     1.50135   119.30330   104.77797
    6     5 S   HC   _HA1     6     1.09573   105.13681    97.53518
    7     5 S   CO3  _C1_     7     1.53747   112.48448   -22.66361
    8     7 S   O2Z  _O11     8     1.26378   115.00151   -42.28561
    9     7 S   O2Z  _O12     9     1.26230   114.93496   136.65830
   10     5 S   CT   _CB1    10     1.53041   107.39277  -144.50060
   11    10 S   HC   HB11    11     1.09849   109.28998   -49.12101
   12    10 S   HC   HB12    12     1.09809   110.49384    67.44936
   13    10 S   CT   _CG1    13     1.53056   112.68544  -170.02956
   14    13 S   HC   HG11    14     1.09555   110.83016   -69.00739
   15    13 S   HC   HG12    15     1.09662   109.62761    50.25764
   16    13 S   C    _CD1    16     1.51819   111.68060   170.81699
   17    16 S   O    _OE1    17     1.22781   123.03807    18.10683
   18    16 S   N    _N2_    18     1.38637   112.03705  -161.84942
   19    18 S   H    _HN2    19     1.01571   119.02707     0.44411
   20    18 S   CT1  _CA2    20     1.46226   123.30359   175.29889
   21    20 S   HC   _HA2    21     1.09738   109.25578     9.53721
   22    20 S   C    _C2_    22     1.53755   108.85123  -105.95998
   23    22 S   O    _O2_    23     1.23090   122.22521  -148.75533
   24    20 S   CT   _CB2    32     1.53307   111.77091   131.58087
   25    24 S   HC   HB21    33     1.09594   110.14324    56.74544
   26    24 S   HC   HB22    34     1.09422   109.92659   175.65508
   27    22 S   N    _N3_    24     1.38301   113.92104    38.69781
   28    27 S   H    _HN3    25     1.01521   119.63630    -2.96359
   29    24 S   S    _SG2    35     1.82694   111.68656   -64.05353
   30    27 S   CT   _CA3    26     1.45281   123.37484   177.37669
   31    30 S   HC   HA31    27     1.09544   107.48912   -65.67899
   32    30 S   HC   HA32    28     1.09553   108.04359    50.81164
   33    29 S   CT   _C12    36     1.84502    99.35904   179.77532
   34    33 S   HC   _H6_    37     1.09476   106.98102   -36.42491
   35    30 S   CO3  _C3_    29     1.53002   113.97781   172.82283
   36    35 S   O2Z  _O31    30     1.26397   116.07452    -0.63704
   37    35 S   O2Z  _O32    31     1.26421   114.42428   179.42802
   38    33 S   CT   _C13    38     1.53251   108.76619    82.33045
   39    38 S   HC   _H16    39     1.09889   109.67384    58.78672
   40    38 S   HC   _H17    40     1.09462   111.35625   -56.97856
   41    33 S   CT   _C11    56     1.54074   110.07223  -155.94240
   42    41 S   HC   _H5_    57     1.09763   108.45663   -50.89715
   43    38 S   CT   _C14    41     1.54320   111.97004   179.63846
   44    43 S   HC   _H7_    42     1.09991   106.74816  -176.53852
   45    41 S   CO3  _C18    58     1.54687   110.15966    68.00479
   46    45 S   O2Z  _O34    59     1.26340   116.12211    53.63307
   47    45 S   O2Z  _O33    60     1.26480   114.52084  -126.84465
   48    43 S   CT   _C7_    43     1.55557   109.12833   -59.84855
   49    48 S   HC   _H3_    44     1.09621   108.42409   174.35455
   50    43 S   CT   _C15    65     1.56757   113.08845    66.81837
   51    50 S   HC   _H18    66     1.09588   109.83963   -66.63820
   52    48 S   CM   _C6_    45     1.51708   112.14216   -71.44119
   53    52 S   HC   _H11    46     1.08751   116.93936   -34.48343
   54    50 S   CT   _C16    67     1.53545   112.30326    52.55617
   55    54 S   HC   _H19    68     1.09508   111.21500    53.57638
   56    54 S   HC   _H20    69     1.09392   111.52146   -67.71484
   57    54 S   HC   _H21    70     1.09568   110.96679   173.73018
   58    50 S   CT   _C17    71     1.53581   111.99897   174.42033
   59    58 S   HC   _H22    72     1.09508   111.22272   -53.30128
   60    58 S   HC   _H23    73     1.09576   110.92694  -173.37555
   61    58 S   HC   _H24    74     1.09337   111.71312    68.05557
   62    52 S   CM   _C5_    47     1.34490   123.82441   147.17056
   63    62 S   CT   _C10    48     1.50822   122.16973     0.76361
   64    63 S   HC   _H14    49     1.09681   109.64425   130.21911
   65    63 S   HC   _H15    50     1.09671   108.71745  -113.54087
   66    62 S   CT   _C4_    61     1.50035   121.88256  -179.38166
   67    66 S   HC   _H8_    62     1.09481   110.22416   120.78574
   68    66 S   HC   _H9_    63     1.09505   112.18651     0.77101
   69    66 S   HC   _H10    64     1.09476   110.31551  -119.35605
   70    63 S   CT   _C9_    51     1.53179   113.68469     8.80333
   71    70 S   HC   _H12    52     1.09879   108.66217    80.38719
   72    70 S   HC   _H13    53     1.09559   109.64742  -164.51389
   73    48 S   CT   _C8_    54     1.55217   111.93256    55.22674
   74    73 S   HC   _H4_    55     1.09832   107.57437    69.41549
  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
  16   8   2   1   1  15   6   5  14   7  19   8   6   2   1  15
   7  11   8  12   4   7   3   2   1   3   2   1   1  11  11   6
   5   4   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    73    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    48    70    73    74    41    42    45    46    47    50  
   38    39    40    43    73    41    42    45  
   36    37  
   37  
    0  
   39    40    43    44    48    49    52    73    41    42    45    50    51    54    58  
   40    43    44    48    41    50  
   43    44    48    41    50  
   42    45    46    47    43    48    49    52    63    70    71    72    73    74  
   45    46    47    48    70    73    74  
   44    48    49    52    53    62    70    73    74    50    51    54    55    56    57    58    59    60    61  
   48    49    52    73    50    51    54    58  
   46    47    48    70    73    74  
   47    73  
   73  
   49    52    53    62    63    70    71    72    73    74    66    50    51    54    58  
   52    53    62    70    73    74    50  
   51    54    55    56    57    58    59    60    61    52    73  
   54    55    56    57    58    59    60    61  
   53    62    63    64    65    70    73    74    66    67    68    69  
   62    63    73    66  
   55    56    57    58    59    60    61  
   56    57    58  
   57    58  
   58  
   59    60    61  
   60    61  
   61  
    0  
   63    64    65    70    71    72    73    66    67    68    69  
   64    65    70    71    72    73    74    66    67    68    69  
   65    70    71    72    73    66  
   70    71    72    73    66  
   67    68    69    70  
   68    69  
   69  
    0  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    48   268.000  1.529
   43    50   268.000  1.529
   48    49   340.000  1.090
   48    52   317.000  1.510
   48    73   268.000  1.529
   52    53   340.000  1.080
   52    62   549.000  1.340
   62    63   317.000  1.510
   62    66   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    41   268.000  1.529
   41    42   340.000  1.090
   41    45   317.000  1.522
   45    46   656.000  1.250
   45    47   656.000  1.250
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   50    51   340.000  1.090
   50    54   268.000  1.529
   50    58   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    73    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    45    70.00000  109.69300
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    48    58.35000  112.70000
   38    43    50    58.35000  112.70000
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    48    49    37.50000  110.70000
   43    48    52    70.00000  112.02700
   43    48    73    58.35000  112.70000
   43    50    51    37.50000  110.70000
   43    50    54    58.35000  112.70000
   43    50    58    58.35000  112.70000
   48    43    44    37.50000  110.70000
   48    52    53    35.00000  117.00000
   48    52    62    70.00000  124.00000
   48    73    70    58.35000  112.70000
   48    73    74    37.50000  110.70000
   48    73    41    58.35000  112.70000
   52    48    49    35.00000  109.50000
   52    62    63    70.00000  124.00000
   52    62    66    70.00000  124.00000
   62    52    53    35.00000  120.00000
   62    63    64    35.00000  109.50000
   62    63    65    35.00000  109.50000
   62    63    70    70.00000  112.02700
   62    66    67    35.00000  109.50000
   62    66    68    35.00000  109.50000
   62    66    69    35.00000  109.50000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    73    58.35000  112.70000
   65    63    64    33.00000  107.80000
   70    63    64    37.50000  110.70000
   70    63    65    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    41    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    48    49    37.50000  110.70000
   73    48    52    70.00000  112.02700
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    41    42    37.50000  110.70000
   73    41    45    70.00000  109.69300
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    73    74    37.50000  110.70000
   41    45    46    70.00000  117.00000
   41    45    47    70.00000  117.00000
   45    41    42    35.00000  109.50000
   47    45    46    80.00000  126.00000
   66    62    63    65.00000  117.92700
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   50    43    44    37.50000  110.70000
   50    43    48    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    57    37.50000  110.70000
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    61    37.50000  110.70000
   54    50    51    37.50000  110.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    50    51    37.50000  110.70000
   58    50    54    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    73   0.44750  1.0 1.0
   29    33    41    73  -0.17800 -1.0 2.0
   29    33    41    73   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    45   0.56750  1.0 1.0
   29    33    41    45  -0.07550 -1.0 2.0
   29    33    41    45   0.20000  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    48   0.56750  1.0 1.0
   33    38    43    48  -0.07550 -1.0 2.0
   33    38    43    48   0.20000  1.0 3.0
   33    38    43    50   0.56750  1.0 1.0
   33    38    43    50  -0.07550 -1.0 2.0
   33    38    43    50   0.20000  1.0 3.0
   33    41    45    46   0.41150 -1.0 2.0
   33    41    45    47   0.41150 -1.0 2.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    73   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    45  -0.11250  1.0 3.0
   38    33    41    73   0.56750  1.0 1.0
   38    33    41    73  -0.07550 -1.0 2.0
   38    33    41    73   0.20000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    45  -1.63150  1.0 1.0
   38    33    41    45  -0.43550 -1.0 2.0
   38    33    41    45   0.24500  1.0 3.0
   38    43    48    49   0.15000  1.0 3.0
   38    43    48    52   0.34400  1.0 1.0
   38    43    48    52   0.09450 -1.0 2.0
   38    43    48    52   0.11100  1.0 3.0
   38    43   -48    73   0.56750  1.0 1.0
   38    43   -48    73  -0.07550 -1.0 2.0
   38    43   -48    73   0.20000  1.0 3.0
   38    43    50    51   0.15000  1.0 3.0
   38    43    50    54   0.56750  1.0 1.0
   38    43    50    54  -0.07550 -1.0 2.0
   38    43    50    54   0.20000  1.0 3.0
   38    43    50    58   0.56750  1.0 1.0
   38    43    50    58  -0.07550 -1.0 2.0
   38    43    50    58   0.20000  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    48   0.15000  1.0 3.0
   39    38    43    50   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    48   0.15000  1.0 3.0
   40    38    43    50   0.15000  1.0 3.0
   43    48    52    53   0.00000  1.0 1.0
   43    48    52    62   0.09850  1.0 1.0
   43    48    52    62   0.15250 -1.0 2.0
   43    48    52    62  -0.50650  1.0 3.0
   43    48    73    70   0.56750  1.0 1.0
   43    48    73    70  -0.07550 -1.0 2.0
   43    48    73    70   0.20000  1.0 3.0
   43    48    73    74   0.15000  1.0 3.0
   43    48    73    41   0.56750  1.0 1.0
   43    48    73    41  -0.07550 -1.0 2.0
   43    48    73    41   0.20000  1.0 3.0
   43    50    54    55   0.15000  1.0 3.0
   43    50    54    56   0.15000  1.0 3.0
   43    50    54    57   0.15000  1.0 3.0
   43    50    58    59   0.15000  1.0 3.0
   43    50    58    60   0.15000  1.0 3.0
   43    50    58    61   0.15000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    52   0.15000  1.0 3.0
   44    43    48    73   0.15000  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    54   0.15000  1.0 3.0
   44    43    50    58   0.15000  1.0 3.0
   48    43    50    51   0.15000  1.0 3.0
   48    43    50    54   0.56750  1.0 1.0
   48    43    50    54  -0.07550 -1.0 2.0
   48    43    50    54   0.20000  1.0 3.0
   48    43    50    58   0.56750  1.0 1.0
   48    43    50    58  -0.07550 -1.0 2.0
   48    43    50    58   0.20000  1.0 3.0
   48    52    62    63   7.00000 -1.0 2.0
   48    52    62    66   7.00000 -1.0 2.0
   48    73   -41    33   0.56750  1.0 1.0
   48    73   -41    33  -0.07550 -1.0 2.0
   48    73   -41    33   0.20000  1.0 3.0
   48    73    41    42   0.15000  1.0 3.0
   48    73    41    45  -1.63150  1.0 1.0
   48    73    41    45  -0.43550 -1.0 2.0
   48    73    41    45   0.24500  1.0 3.0
   49    48    52    53   0.33100  1.0 3.0
   49    48    52    62   0.00000  1.0 1.0
   49    48    73    70   0.15000  1.0 3.0
   49    48    73    74   0.15000  1.0 3.0
   49    48    73    41   0.15000  1.0 3.0
   52    48    73    70   0.34400  1.0 1.0
   52    48    73    70   0.09450 -1.0 2.0
   52    48    73    70   0.11100  1.0 3.0
   52    48    73    74   0.15000  1.0 3.0
   52    48    73    41   0.34400  1.0 1.0
   52    48    73    41   0.09450 -1.0 2.0
   52    48    73    41   0.11100  1.0 3.0
   52    62    63    64   0.00000  1.0 1.0
   52    62    63    65   0.00000  1.0 1.0
   52    62   -63    70   0.09850  1.0 1.0
   52    62   -63    70   0.15250 -1.0 2.0
   52    62   -63    70  -0.50650  1.0 3.0
   52    62    66    67   0.00000  1.0 1.0
   52    62    66    68   0.00000  1.0 1.0
   52    62    66    69   0.00000  1.0 1.0
   53    52    62    63   7.00000 -1.0 2.0
   53    52    62    66   7.00000 -1.0 2.0
   62    63    70    71   0.15000  1.0 3.0
   62    63    70    72   0.15000  1.0 3.0
   62    63    70    73   0.34400  1.0 1.0
   62    63    70    73   0.09450 -1.0 2.0
   62    63    70    73   0.11100  1.0 3.0
   63    62    66    67   0.34800  1.0 3.0
   63    62    66    68   0.34800  1.0 3.0
   63    62    66    69   0.34800  1.0 3.0
   63    70   -73    48   0.56750  1.0 1.0
   63    70   -73    48  -0.07550 -1.0 2.0
   63    70   -73    48   0.20000  1.0 3.0
   63    70    73    74   0.15000  1.0 3.0
   63    70    73    41   0.56750  1.0 1.0
   63    70    73    41  -0.07550 -1.0 2.0
   63    70    73    41   0.20000  1.0 3.0
   64    63    70    71   0.15000  1.0 3.0
   64    63    70    72   0.15000  1.0 3.0
   64    63    70    73   0.15000  1.0 3.0
   65    63    70    71   0.15000  1.0 3.0
   65    63    70    72   0.15000  1.0 3.0
   65    63    70    73   0.15000  1.0 3.0
   70    73    41    33   0.56750  1.0 1.0
   70    73    41    33  -0.07550 -1.0 2.0
   70    73    41    33   0.20000  1.0 3.0
   70    73    41    42   0.15000  1.0 3.0
   70    73    41    45  -1.63150  1.0 1.0
   70    73    41    45  -0.43550 -1.0 2.0
   70    73    41    45   0.24500  1.0 3.0
   71    70    73    48   0.15000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    41   0.15000  1.0 3.0
   72    70    73    48   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    41   0.15000  1.0 3.0
   73    48    52    53   0.00000  1.0 1.0
   73    48   -52    62   0.09850  1.0 1.0
   73    48   -52    62   0.15250 -1.0 2.0
   73    48   -52    62  -0.50650  1.0 3.0
   73    41    45    46   0.41150 -1.0 2.0
   73    41    45    47   0.41150 -1.0 2.0
   74    73    41    33   0.15000  1.0 3.0
   74    73    41    42   0.15000  1.0 3.0
   74    73    41    45  -0.11250  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33   -38    43   0.56750  1.0 1.0
   41    33   -38    43  -0.07550 -1.0 2.0
   41    33   -38    43   0.20000  1.0 3.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    47   0.00000  1.0 1.0
   66    62    63    64   0.34800  1.0 3.0
   66    62    63    65   0.34800  1.0 3.0
   66    62    63    70   0.46850  1.0 1.0
   66    62    63    70   0.08550 -1.0 2.0
   66    62    63    70   0.09800  1.0 3.0
   50    43    48    49   0.15000  1.0 3.0
   50    43    48    52   0.34400  1.0 1.0
   50    43    48    52   0.09450 -1.0 2.0
   50    43    48    52   0.11100  1.0 3.0
   50    43    48    73   0.56750  1.0 1.0
   50    43    48    73  -0.07550 -1.0 2.0
   50    43    48    73   0.20000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    60   0.15000  1.0 3.0
   51    50    58    61   0.15000  1.0 3.0
   54    50    58    59   0.15000  1.0 3.0
   54    50    58    60   0.15000  1.0 3.0
   54    50    58    61   0.15000  1.0 3.0
   58    50    54    55   0.15000  1.0 3.0
   58    50    54    56   0.15000  1.0 3.0
   58    50    54    57   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
   36    30    35    37  10.50000 -1.0 2.0
   48    53    52    62   1.10000 -1.0 2.0
   63    66    62    52   1.10000 -1.0 2.0
   46    41    45    47  10.50000 -1.0 2.0
END
