* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    142    231     415
    1     0 S   NP   _N1_     1    28.71883    94.79063   -22.29639
    2     1 S   H    _HN1     2     1.02779    94.90019   -82.53619
    3     1 S   H    _H1_     3     1.02955    85.99354    25.55847
    4     1 S   H    _H2_     4     1.02830    30.47666   159.93901
    5     1 S   CT   _CA1     5     1.50113   140.37074   143.16323
    6     5 S   HC   _HA1     6     1.09567   105.25632    68.24218
    7     5 S   CO3  _C1_     7     1.53840   112.32452   -52.09148
    8     7 S   O2Z  _O11     8     1.26372   115.00909   -44.13366
    9     7 S   O2Z  _O12     9     1.26235   114.94632   134.98509
   10     5 S   CT   _CB1    10     1.53076   107.42337  -173.72018
   11    10 S   HC   HB11    11     1.09823   109.54203   -49.20220
   12    10 S   HC   HB12    12     1.09829   110.34144    67.42705
   13    10 S   CT   _CG1    13     1.52991   112.59649  -170.22797
   14    13 S   HC   HG11    14     1.09600   110.41338   -60.92858
   15    13 S   HC   HG12    15     1.09638   110.07199    58.34331
   16    13 S   C    _CD1    16     1.51776   112.21234   178.82231
   17    16 S   O    _OE1    17     1.22734   123.24626    -4.06602
   18    16 S   N    _N2_    18     1.38618   111.60496   175.73759
   19    18 S   H    _HN2    19     1.01582   119.09333     2.72362
   20    18 S   CT1  _CA2    20     1.46322   123.38585  -176.63693
   21    20 S   HC   _HA2    21     1.09736   109.28494    -8.47827
   22    20 S   C    _C2_    22     1.53342   108.80360  -124.20639
   23    22 S   O    _O2_    23     1.23025   122.40604  -149.96608
   24    20 S   CT   _CB2    32     1.53460   111.11921   113.19882
   25    24 S   HC   HB21    33     1.09566   109.58312    57.53103
   26    24 S   HC   HB22    34     1.09471   110.55666   176.73517
   27    22 S   N    _N3_    24     1.38387   113.51942    37.67660
   28    27 S   H    _HN3    25     1.01636   119.43917    -3.75343
   29    24 S   S    _SG2    35     1.82725   110.91607   -63.22281
   30    27 S   CT   _CA3    26     1.45271   123.08599   176.86662
   31    30 S   HC   HA31    27     1.09554   107.53176   -63.61033
   32    30 S   HC   HA32    28     1.09560   107.93476    52.78165
   33    29 S   CT   _C10    36     1.84210   100.06889   162.71706
   34    33 S   HC   _H3_    37     1.09620   106.02868   -43.32148
   35    30 S   CO3  _C3_    29     1.52916   114.17613   174.76718
   36    35 S   O2Z  _O31    30     1.26360   116.07931    -0.70276
   37    35 S   O2Z  _O32    31     1.26434   114.40367   179.35715
   38    33 S   CM   _C8_    38     1.51997   109.52457    77.09306
   39    33 S   CT   _C11    53     1.55013   114.84425  -160.16457
   40    39 S   HC   _H4_    54     1.10064   106.21240   173.50771
   41    38 S   C3T  _C7_    39     1.48990   114.90948    71.23964
   42    38 S   CMA  _C9_    70     1.35760   121.97746  -112.53472
   43    42 S   OM   _O33    71     1.25956   133.25993     1.97744
   44    42 S   HC   _H11    72     1.09239   112.10250  -177.66108
   45    41 S   C3T  _C6_    40     1.51048   116.10528    96.91858
   46    45 S   HC   _H9_    41     1.08544   118.92270    -1.54002
   47    45 S   HC   _H10    42     1.08503   118.29646   140.96224
   48    41 S   CO4  _C18    67     1.48790   113.22227  -120.42492
   49    48 S   O    _O34    68     1.22537   122.11829    81.18069
   50    48 S   HC   _H22    69     1.10291   116.27480   -98.58326
   51    41 S   C3T  _C5_    43     1.53410   119.11570    28.64303
   52    51 S   CT   _C12    44     1.52655   119.79308     0.36099
   53    52 S   HC   _H5_    45     1.09946   106.43203   119.35140
   54    51 S   CT   _C4_    63     1.51381   119.50495  -151.93258
   55    54 S   HC   _H6_    64     1.09446   110.65375    81.92779
   56    54 S   HC   _H7_    65     1.09551   112.37718   -38.14963
   57    54 S   HC   _H8_    66     1.09512   110.45395  -157.61872
   58    52 S   CT   _C13    46     1.53180   115.83969  -121.71484
   59    58 S   HC   _H12    47     1.09609   111.63786   -73.32328
   60    58 S   HC   _H13    48     1.09500   111.14230    45.49666
   61    58 S   CT   _C14    49     1.53792   104.64640   165.56949
   62    61 S   CT   _C15    50     1.54264   104.38064   -33.78534
   63    62 S   HC   _H14    51     1.09538   111.88459  -106.53523
   64    62 S   HC   _H15    52     1.09733   110.98508   136.01116
   65    61 S   CT   _C16    55     1.53278   111.06069  -154.00700
   66    65 S   HC   _H16    56     1.09560   111.05609   -61.88722
   67    65 S   HC   _H17    57     1.09565   111.04439   177.96049
   68    65 S   HC   _H18    58     1.09565   111.48415    58.08303
   69    61 S   CT   _C17    59     1.53892   110.81903    85.00839
   70    69 S   HC   _H19    60     1.09577   111.02088    60.82666
   71    69 S   HC   _H20    61     1.09490   111.98452   -59.57541
   72    69 S   HC   _H21    62     1.09601   110.93003  -179.52522
  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   9   5   4   3
  18   7   2   1   1  16  17   8  17   5   1   1  13   5   4   5
   2   1  11  14   6   4   2   1   1  14   5   4  11  10   3   2
   7   3   2   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    52    62    39    40    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    45    51    52    53    58    61    62    63    64    39    40    48    42    43    44  
   38    41    52    62    39    40    42  
   36    37  
   37  
    0  
   41    45    46    47    51    52    62    39    40    54    48    49    50    42    43    44  
   40    65    69    54    42    41    45    51    52    53    58    59    60    61    62    63    64  
   51    52    53    58    61    62    63    64  
   45    46    47    51    52    53    58    54    55    56    57    48    49    50    42    43    44  
   43    44    45    48    51  
   44  
    0  
   46    47    51    52    53    58    54    55    56    57    48    49    50  
   47    51    52    54    48  
   51    52    54    48  
   49    50    51    52    54  
   50    51  
   51  
   52    53    58    59    60    61    62    54    55    56    57  
   53    58    59    60    61    62    63    64    65    69    54    55    56    57  
   58    59    60    61    62    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    66    67    68    69    70    71    72  
   60    61    62    65    69  
   61    62    65    69  
   62    63    64    65    66    67    68    69    70    71    72  
   63    64    65    66    67    68    69    70    71    72  
   64    65    69  
   65    69  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.082800   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.367200   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   50   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   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  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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   317.000  1.510
   33    39   268.000  1.529
   38    41   305.000  1.480
   38    42   465.000  1.376
   41    45   260.000  1.509
   41    51   260.000  1.509
   41    48   290.000  1.496
   45    46   340.000  1.088
   45    47   340.000  1.088
   45    51   260.000  1.509
   51    52   275.000  1.510
   51    54   275.000  1.510
   52    53   340.000  1.090
   52    58   268.000  1.529
   52    39   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   268.000  1.529
   61    65   268.000  1.529
   61    69   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    39   268.000  1.529
   39    40   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   48    49   570.000  1.229
   48    50   340.000  1.090
   42    43   745.000  1.250
   42    44   335.000  1.111
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  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    39    52    58.35000  112.70000
   33    39    62    58.35000  112.70000
   33    39    40    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    41    45    60.00000  120.58800
   38    41    51    60.00000  120.58800
   38    41    48    70.00000  109.06800
   38    42    43    65.00000  137.10300
   38    42    44    45.00000  105.30000
   41    45    46    37.50000  117.20000
   41    45    47    37.50000  117.20000
   41    45    51    10.00000   60.00500
   41    51    45    10.00000   60.00500
   41    51    52    60.00000  120.94000
   41    51    54    60.00000  120.94000
   41    48    49    75.00000  121.36600
   41    48    50    40.00000  115.82000
   45    51    52    60.00000  120.94000
   45    51    54    60.00000  120.94000
   47    45    46    35.00000  114.30000
   51    41    45    10.00000   60.00500
   51    45    46    37.50000  117.20000
   51    45    47    37.50000  117.20000
   51    52    53    45.00000  109.38400
   51    52    58    70.00000  112.37300
   51    52    39    70.00000  112.37300
   51    54    55    45.00000  109.38400
   51    54    56    45.00000  109.38400
   51    54    57    45.00000  109.38400
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    58.35000  112.70000
   52    39    62    58.35000  112.70000
   52    39    40    37.50000  110.70000
   58    52    53    37.50000  110.70000
   58    61    62    58.35000  112.70000
   58    61    65    58.35000  112.70000
   58    61    69    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    62    63    37.50000  110.70000
   61    62    64    37.50000  110.70000
   61    62    39    58.35000  112.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    68    37.50000  110.70000
   61    69    70    37.50000  110.70000
   61    69    71    37.50000  110.70000
   61    69    72    37.50000  110.70000
   62    39    40    37.50000  110.70000
   64    62    63    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    52    53    37.50000  110.70000
   39    52    58    58.35000  112.70000
   39    62    63    37.50000  110.70000
   39    62    64    37.50000  110.70000
   65    61    62    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    61    62    58.35000  112.70000
   69    61    65    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   54    51    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   48    41    45    65.00000  117.18000
   48    41    51    65.00000  117.18000
   50    48    49    35.00000  123.00000
   42    38    41    55.00000  125.06700
   44    42    43    50.00000  124.16400
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    39    52   0.44750  1.0 1.0
   29    33    39    52  -0.17800 -1.0 2.0
   29    33    39    52   0.20200  1.0 3.0
   29    33    39    62   0.44750  1.0 1.0
   29    33    39    62  -0.17800 -1.0 2.0
   29    33    39    62   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   33    38    41    45   0.46850  1.0 1.0
   33    38    41    45   0.08550 -1.0 2.0
   33    38    41    45   0.09800  1.0 3.0
   33    38    41    51   0.46850  1.0 1.0
   33    38    41    51   0.08550 -1.0 2.0
   33    38    41    51   0.09800  1.0 3.0
   33    38    41    48   0.17250  1.0 1.0
   33    38    41    48  -0.04100 -1.0 2.0
   33    38    41    48  -0.33850  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    39    52   0.15000  1.0 3.0
   34    33    39    62   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   38    33    39    52   0.34400  1.0 1.0
   38    33    39    52   0.09450 -1.0 2.0
   38    33    39    52   0.11100  1.0 3.0
   38    33    39    62   0.34400  1.0 1.0
   38    33    39    62   0.09450 -1.0 2.0
   38    33    39    62   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    41    45    46   0.15000  1.0 3.0
   38    41    45    47   0.15000  1.0 3.0
   38    41   -45    51   0.34400  1.0 1.0
   38    41   -45    51   0.09450 -1.0 2.0
   38    41   -45    51   0.11100  1.0 3.0
   38    41   -51    45   0.34400  1.0 1.0
   38    41   -51    45   0.09450 -1.0 2.0
   38    41   -51    45   0.11100  1.0 3.0
   38    41   -51    52   0.34400  1.0 1.0
   38    41   -51    52   0.09450 -1.0 2.0
   38    41   -51    52   0.11100  1.0 3.0
   38    41    51    54   0.34400  1.0 1.0
   38    41    51    54   0.09450 -1.0 2.0
   38    41    51    54   0.11100  1.0 3.0
   38    41    48    49   0.30150 -1.0 2.0
   38    41    48    50   0.81450  1.0 1.0
   38    41    48    50  -0.29600 -1.0 2.0
   38    41    48    50   0.60450  1.0 3.0
   41    38    42    43   7.00000 -1.0 2.0
   41    38    42    44   7.00000 -1.0 2.0
   41    45   -51    52   0.07850  1.0 1.0
   41    45   -51    52  -0.03950 -1.0 2.0
   41    45   -51    52   0.67350  1.0 3.0
   41    45   -51    54   0.07850  1.0 1.0
   41    45   -51    54  -0.03950 -1.0 2.0
   41    45   -51    54   0.67350  1.0 3.0
   41    51    52    53   0.15000  1.0 3.0
   41    51    52    58   0.07850  1.0 1.0
   41    51    52    58  -0.03950 -1.0 2.0
   41    51    52    58   0.67350  1.0 3.0
   41    51    52    39   0.07850  1.0 1.0
   41    51    52    39  -0.03950 -1.0 2.0
   41    51    52    39   0.67350  1.0 3.0
   41    51    54    55   0.15000  1.0 3.0
   41    51    54    56   0.15000  1.0 3.0
   41    51    54    57   0.15000  1.0 3.0
   45    41   -51    52   0.07850  1.0 1.0
   45    41   -51    52  -0.03950 -1.0 2.0
   45    41   -51    52   0.67350  1.0 3.0
   45    41   -51    54   0.07850  1.0 1.0
   45    41   -51    54  -0.03950 -1.0 2.0
   45    41   -51    54   0.67350  1.0 3.0
   45    41    48    49   0.30150 -1.0 2.0
   45    41    48    50   0.74550  1.0 1.0
   45    41    48    50  -0.00500 -1.0 2.0
   45    51    52    53   0.15000  1.0 3.0
   45    51    52    58   0.07850  1.0 1.0
   45    51    52    58  -0.03950 -1.0 2.0
   45    51    52    58   0.67350  1.0 3.0
   45    51    52    39   0.07850  1.0 1.0
   45    51    52    39  -0.03950 -1.0 2.0
   45    51    52    39   0.67350  1.0 3.0
   45    51    54    55   0.15000  1.0 3.0
   45    51    54    56   0.15000  1.0 3.0
   45    51    54    57   0.15000  1.0 3.0
   46    45   -51    41   0.15000  1.0 3.0
   46    45    51    52   0.15000  1.0 3.0
   46    45    51    54   0.15000  1.0 3.0
   47    45   -51    41   0.15000  1.0 3.0
   47    45    51    52   0.15000  1.0 3.0
   47    45    51    54   0.15000  1.0 3.0
   51    41   -45    46   0.15000  1.0 3.0
   51    41   -45    47   0.15000  1.0 3.0
   51    41    48    49   0.30150 -1.0 2.0
   51    41    48    50   0.74550  1.0 1.0
   51    41    48    50  -0.00500 -1.0 2.0
   51    52    58    59   0.15000  1.0 3.0
   51    52    58    60   0.15000  1.0 3.0
   51    52    58    61   0.47050  1.0 1.0
   51    52    58    61   0.03900 -1.0 2.0
   51    52    58    61   0.20100  1.0 3.0
   51    52   -39    33   0.47050  1.0 1.0
   51    52   -39    33   0.03900 -1.0 2.0
   51    52   -39    33   0.20100  1.0 3.0
   51    52    39    62   0.47050  1.0 1.0
   51    52    39    62   0.03900 -1.0 2.0
   51    52    39    62   0.20100  1.0 3.0
   51    52    39    40   0.15000  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   52    58   -61    62   0.56750  1.0 1.0
   52    58   -61    62  -0.07550 -1.0 2.0
   52    58   -61    62   0.20000  1.0 3.0
   52    58    61    65   0.56750  1.0 1.0
   52    58    61    65  -0.07550 -1.0 2.0
   52    58    61    65   0.20000  1.0 3.0
   52    58    61    69   0.56750  1.0 1.0
   52    58    61    69  -0.07550 -1.0 2.0
   52    58    61    69   0.20000  1.0 3.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    60   0.15000  1.0 3.0
   53    52    58    61   0.15000  1.0 3.0
   53    52    39    33   0.15000  1.0 3.0
   53    52    39    62   0.15000  1.0 3.0
   53    52    39    40   0.15000  1.0 3.0
   58    52    39    33   0.56750  1.0 1.0
   58    52    39    33  -0.07550 -1.0 2.0
   58    52    39    33   0.20000  1.0 3.0
   58    52   -39    62   0.56750  1.0 1.0
   58    52   -39    62  -0.07550 -1.0 2.0
   58    52   -39    62   0.20000  1.0 3.0
   58    52    39    40   0.15000  1.0 3.0
   58    61    62    63   0.15000  1.0 3.0
   58    61    62    64   0.15000  1.0 3.0
   58    61   -62    39   0.56750  1.0 1.0
   58    61   -62    39  -0.07550 -1.0 2.0
   58    61   -62    39   0.20000  1.0 3.0
   58    61    65    66   0.15000  1.0 3.0
   58    61    65    67   0.15000  1.0 3.0
   58    61    65    68   0.15000  1.0 3.0
   58    61    69    70   0.15000  1.0 3.0
   58    61    69    71   0.15000  1.0 3.0
   58    61    69    72   0.15000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    65   0.15000  1.0 3.0
   59    58    61    69   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    65   0.15000  1.0 3.0
   60    58    61    69   0.15000  1.0 3.0
   61    62    39    33   0.56750  1.0 1.0
   61    62    39    33  -0.07550 -1.0 2.0
   61    62    39    33   0.20000  1.0 3.0
   61    62   -39    52   0.56750  1.0 1.0
   61    62   -39    52  -0.07550 -1.0 2.0
   61    62   -39    52   0.20000  1.0 3.0
   61    62    39    40   0.15000  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    67   0.15000  1.0 3.0
   62    61    65    68   0.15000  1.0 3.0
   62    61    69    70   0.15000  1.0 3.0
   62    61    69    71   0.15000  1.0 3.0
   62    61    69    72   0.15000  1.0 3.0
   63    62    39    33   0.15000  1.0 3.0
   63    62    39    52   0.15000  1.0 3.0
   63    62    39    40   0.15000  1.0 3.0
   64    62    39    33   0.15000  1.0 3.0
   64    62    39    52   0.15000  1.0 3.0
   64    62    39    40   0.15000  1.0 3.0
   39    33   -38    41   0.46850  1.0 1.0
   39    33   -38    41   0.08550 -1.0 2.0
   39    33   -38    41   0.09800  1.0 3.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    52    58    59   0.15000  1.0 3.0
   39    52    58    60   0.15000  1.0 3.0
   39    52   -58    61   0.56750  1.0 1.0
   39    52   -58    61  -0.07550 -1.0 2.0
   39    52   -58    61   0.20000  1.0 3.0
   65    61    62    63   0.15000  1.0 3.0
   65    61    62    64   0.15000  1.0 3.0
   65    61    62    39   0.56750  1.0 1.0
   65    61    62    39  -0.07550 -1.0 2.0
   65    61    62    39   0.20000  1.0 3.0
   65    61    69    70   0.15000  1.0 3.0
   65    61    69    71   0.15000  1.0 3.0
   65    61    69    72   0.15000  1.0 3.0
   69    61    62    63   0.15000  1.0 3.0
   69    61    62    64   0.15000  1.0 3.0
   69    61    62    39   0.56750  1.0 1.0
   69    61    62    39  -0.07550 -1.0 2.0
   69    61    62    39   0.20000  1.0 3.0
   69    61    65    66   0.15000  1.0 3.0
   69    61    65    67   0.15000  1.0 3.0
   69    61    65    68   0.15000  1.0 3.0
   54    51    52    53   0.15000  1.0 3.0
   54    51    52    58   0.56750  1.0 1.0
   54    51    52    58  -0.07550 -1.0 2.0
   54    51    52    58   0.20000  1.0 3.0
   54    51    52    39   0.56750  1.0 1.0
   54    51    52    39  -0.07550 -1.0 2.0
   54    51    52    39   0.20000  1.0 3.0
   48    41    45    46   0.15000  1.0 3.0
   48    41    45    47   0.15000  1.0 3.0
   48    41   -45    51  -0.95700  1.0 1.0
   48    41   -45    51  -0.18200 -1.0 2.0
   48    41   -45    51   0.29450  1.0 3.0
   48    41   -51    45  -0.95700  1.0 1.0
   48    41   -51    45  -0.18200 -1.0 2.0
   48    41   -51    45   0.29450  1.0 3.0
   48    41    51    52  -0.95700  1.0 1.0
   48    41    51    52  -0.18200 -1.0 2.0
   48    41    51    52   0.29450  1.0 3.0
   48    41    51    54  -0.95700  1.0 1.0
   48    41    51    54  -0.18200 -1.0 2.0
   48    41    51    54   0.29450  1.0 3.0
   42    38    41    45   0.09850  1.0 1.0
   42    38    41    45   0.15250 -1.0 2.0
   42    38    41    45  -0.50650  1.0 3.0
   42    38    41    51   0.09850  1.0 1.0
   42    38    41    51   0.15250 -1.0 2.0
   42    38    41    51  -0.50650  1.0 3.0
   42    38    41    48  -0.51250  1.0 1.0
   42    38    41    48  -0.88800 -1.0 2.0
   42    38    41    48   0.08850  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
   33    41    38    42   1.10000 -1.0 2.0
   41    50    48    49  10.50000 -1.0 2.0
   43    44    42    38   1.10000 -1.0 2.0
END
