* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    139    215     412
    1     0 S   NP   _N1_     1    28.01359    96.32827   -24.97029
    2     1 S   H    _HN1     2     1.02779   116.09828  -114.07101
    3     1 S   H    _H1_     3     1.02957    80.05619    -8.43319
    4     1 S   H    _H2_     4     1.02837    27.07498   167.89468
    5     1 S   CT   _CA1     5     1.50166   123.68572    99.53620
    6     5 S   HC   _HA1     6     1.09579   105.17331    86.16994
    7     5 S   CO3  _C1_     7     1.53748   112.22622   -33.93780
    8     7 S   O2Z  _O11     8     1.26369   114.98421   -45.96843
    9     7 S   O2Z  _O12     9     1.26220   114.90551   132.80968
   10     5 S   CT   _CB1    10     1.53067   107.38290  -156.01475
   11    10 S   HC   HB11    11     1.09837   109.22854   -50.31811
   12    10 S   HC   HB12    12     1.09813   110.48149    66.18215
   13    10 S   CT   _CG1    13     1.53078   112.77096  -171.34962
   14    13 S   HC   HG11    14     1.09584   110.59172   -66.42992
   15    13 S   HC   HG12    15     1.09660   109.84932    52.82575
   16    13 S   C    _CD1    16     1.51879   112.05437   173.13159
   17    16 S   O    _OE1    17     1.22799   123.17738     5.63534
   18    16 S   N    _N2_    18     1.38579   111.96982  -174.28543
   19    18 S   H    _HN2    19     1.01573   119.23106     2.67430
   20    18 S   CT1  _CA2    20     1.45797   122.57319   176.95367
   21    20 S   HC   _HA2    21     1.09746   108.72498    28.50004
   22    20 S   C    _C2_    22     1.53028   107.13532   -88.39198
   23    22 S   O    _O2_    23     1.22971   123.15754   -26.17246
   24    20 S   CT   _CB2    32     1.53177   112.61173   151.71745
   25    24 S   HC   HB21    33     1.09600   110.39728    54.30337
   26    24 S   HC   HB22    34     1.09420   109.79176   173.08358
   27    22 S   N    _N3_    24     1.38527   112.49001   156.46009
   28    27 S   H    _HN3    25     1.01653   120.31533    -2.21337
   29    24 S   S    _SG2    35     1.82424   111.38198   -66.45292
   30    27 S   CT   _CA3    26     1.45351   122.54993   178.56264
   31    30 S   HC   HA31    27     1.09566   107.87260   -54.50294
   32    30 S   HC   HA32    28     1.09560   107.56775    61.85591
   33    29 S   CT   _C13    36     1.83574    99.34923  -177.84969
   34    33 S   HC   _H5_    37     1.09516   107.81007   -41.41060
   35    30 S   CO3  _C3_    29     1.52900   114.27123  -176.43278
   36    35 S   O2Z  _O31    30     1.26344   116.04084     0.20748
   37    35 S   O2Z  _O32    31     1.26432   114.42188  -179.84423
   38    33 S   CM   _C11    38     1.50407   109.02839  -159.42954
   39    33 S   CT   _C14    54     1.53412   110.19347    77.52287
   40    39 S   HC   _H15    55     1.09529   110.44371   -70.37795
   41    39 S   HC   _H16    56     1.09712   111.08703    44.64208
   42    38 S   CT   _C8_    39     1.50830   119.40356  -112.37208
   43    42 S   HC   _H4_    40     1.10076   107.91031  -164.65914
   44    38 S   CMA  _C12    71     1.52110   120.38819    79.94979
   45    44 S   OM   _O33    72     1.26262   120.77585    57.21339
   46    44 S   OM   _O34    73     1.26237   120.39117  -123.37186
   47    42 S   CT   _C9_    41     1.53629   111.60306    79.55336
   48    47 S   HC   _H11    42     1.09754   110.15290    57.94542
   49    47 S   HC   _H12    43     1.09484   111.41561   -59.23567
   50    47 S   CT   _C10    44     1.52758   111.77672   179.14225
   51    50 S   HC   _H13    45     1.09704   109.64901   -75.99791
   52    50 S   HC   _H14    46     1.09676   108.20441   167.68807
   53    50 S   CM   _C5_    47     1.50417   113.35059    45.50526
   54    53 S   CM   _C6_    48     1.34353   122.10856   -18.63304
   55    54 S   HC   _H10    49     1.08815   119.10844  -179.23639
   56    53 S   CT   _C4_    67     1.50057   116.05310   162.35227
   57    56 S   HC   _H7_    68     1.09480   110.29504   -61.49503
   58    56 S   HC   _H8_    69     1.09507   112.21070   178.41712
   59    56 S   HC   _H9_    70     1.09483   110.24069    58.35795
   60    42 S   CT   _C7_    50     1.55419   111.50016   -48.49131
   61    60 S   HC   _H3_    51     1.09809   104.66507   -86.05763
   62    60 S   CT   _C15    52     1.57111   115.52398    32.42699
   63    62 S   HC   _H6_    53     1.10015   109.09053   133.44396
   64    62 S   CT   _C16    57     1.56738   111.31725  -110.06077
   65    64 S   HC   _H17    58     1.09719   109.03736    51.80662
   66    64 S   CT   _C17    59     1.53442   113.27776   171.45870
   67    66 S   HC   _H18    60     1.09518   111.21246    53.58032
   68    66 S   HC   _H19    61     1.09393   111.59404   -67.74666
   69    66 S   HC   _H20    62     1.09573   110.88975   173.64692
   70    64 S   CT   _C18    63     1.53808   111.24920   -66.92831
   71    70 S   HC   _H21    64     1.09551   111.02175   -59.93687
   72    70 S   HC   _H22    65     1.09572   110.68057  -179.62885
   73    70 S   HC   _H23    66     1.09297   112.32675    61.01554
  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
  15   7   2   1   1  16  13   5   4  18   9   4   1   1  11   6
   5  10   4   3   9  10   4   4   2   1   1   7   3  11   4   9
   8   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    42    62    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    47    60    62    63    39    40    41    64    44    45    46  
   38    42    62    39    40    41    44  
   36    37  
   37  
    0  
   42    43    47    48    49    50    54    60    61    62    39    40    41    44    45    46  
   40    41    64    65    66    70    44    42    54    60    61    62    63  
   41    64    60    62    63  
   64    60    62    63  
   43    47    48    49    50    51    52    53    54    55    60    61    62    63    64    44    45    46  
   47    48    49    50    54    60    61    62    44  
   45    46    47    60  
   46  
    0  
   48    49    50    51    52    53    54    60    61    62    56  
   49    50    51    52    53    60  
   50    51    52    53    60  
   51    52    53    54    55    60    56    57    58    59  
   52    53    54    56  
   53    54    56  
   54    55    60    61    62    56    57    58    59  
   55    60    61    62    63    64    56    57    58    59  
   60    61    62    56  
   57    58    59    60  
   58    59  
   59  
    0  
   61    62    63    64    65    66    70  
   62    63    64  
   63    64    65    66    67    68    69    70    71    72    73  
   64    65    66    70  
   65    66    67    68    69    70    71    72    73  
   66    67    68    69    70    71    72    73  
   67    68    69    70    71    72    73  
   68    69    70  
   69    70  
   70  
   71    72    73  
   72    73  
   73  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   46   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   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   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    42   317.000  1.510
   38    44   465.000  1.376
   42    43   340.000  1.090
   42    47   268.000  1.529
   42    60   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   317.000  1.510
   53    54   549.000  1.340
   53    56   317.000  1.510
   54    55   340.000  1.080
   54    60   317.000  1.510
   60    61   340.000  1.090
   60    62   268.000  1.529
   62    63   340.000  1.090
   62    39   268.000  1.529
   62    64   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    70   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   44    45   745.000  1.250
   44    46   745.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    42    65.00000  117.92700
   33    38    44    70.00000  124.00000
   33    39    62    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  109.50000
   38    42    47    70.00000  112.02700
   38    42    60    70.00000  112.02700
   38    44    45    65.00000  137.10300
   38    44    46    65.00000  137.10300
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    50    58.35000  112.70000
   42    60    54    70.00000  112.02700
   42    60    61    37.50000  110.70000
   42    60    62    58.35000  112.70000
   47    42    43    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    53    70.00000  112.02700
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    53    54    70.00000  124.00000
   50    53    56    65.00000  117.92700
   52    50    51    33.00000  107.80000
   53    50    51    35.00000  109.50000
   53    50    52    35.00000  109.50000
   53    54    55    35.00000  120.00000
   53    54    60    70.00000  124.00000
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    59    35.00000  109.50000
   54    60    61    35.00000  109.50000
   54    60    62    70.00000  112.02700
   60    42    43    37.50000  110.70000
   60    42    47    58.35000  112.70000
   60    54    55    35.00000  117.00000
   60    62    63    37.50000  110.70000
   60    62    39    58.35000  112.70000
   60    62    64    58.35000  112.70000
   62    60    61    37.50000  110.70000
   62    39    40    37.50000  110.70000
   62    39    41    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    66    58.35000  112.70000
   62    64    70    58.35000  112.70000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    62    63    37.50000  110.70000
   41    39    40    33.00000  107.80000
   64    62    63    37.50000  110.70000
   64    62    39    58.35000  112.70000
   64    66    67    37.50000  110.70000
   64    66    68    37.50000  110.70000
   64    66    69    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    73    37.50000  110.70000
   66    64    65    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    64    65    37.50000  110.70000
   70    64    66    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   56    53    54    70.00000  124.00000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   44    38    42    70.00000  124.00000
   46    44    45    65.00000  121.00000
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  -0.62250  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    42   0.30250  1.0 1.0
   29    33    38    42  -0.14950 -1.0 2.0
   29    33    38    42   0.36900  1.0 3.0
   29    33    38    44   0.42700  1.0 1.0
   29    33    38    44  -0.70350 -1.0 2.0
   29    33    38    44  -0.43150  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
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    43   0.34800  1.0 3.0
   33    38    42    47   0.46850  1.0 1.0
   33    38    42    47   0.08550 -1.0 2.0
   33    38    42    47   0.09800  1.0 3.0
   33    38    42    60   0.46850  1.0 1.0
   33    38    42    60   0.08550 -1.0 2.0
   33    38    42    60   0.09800  1.0 3.0
   33    38    44    45   7.00000 -1.0 2.0
   33    38    44    46   7.00000 -1.0 2.0
   34    33    38    42   0.34800  1.0 3.0
   34    33    38    44   0.00000  1.0 1.0
   34    33    39    62   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  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    33    39    41   0.15000  1.0 3.0
   38    42    47    48   0.15000  1.0 3.0
   38    42    47    49   0.15000  1.0 3.0
   38    42    47    50   0.34400  1.0 1.0
   38    42    47    50   0.09450 -1.0 2.0
   38    42    47    50   0.11100  1.0 3.0
   38    42    60    54   0.31000  1.0 1.0
   38    42    60    54   0.14700 -1.0 2.0
   38    42    60    54   0.07550  1.0 3.0
   38    42    60    61   0.15000  1.0 3.0
   38    42   -60    62   0.34400  1.0 1.0
   38    42   -60    62   0.09450 -1.0 2.0
   38    42   -60    62   0.11100  1.0 3.0
   42    38    44    45   7.00000 -1.0 2.0
   42    38    44    46   7.00000 -1.0 2.0
   42    47    50    51   0.15000  1.0 3.0
   42    47    50    52   0.15000  1.0 3.0
   42    47    50    53   0.34400  1.0 1.0
   42    47    50    53   0.09450 -1.0 2.0
   42    47    50    53   0.11100  1.0 3.0
   42    60    62    63   0.15000  1.0 3.0
   42    60    62    39   0.56750  1.0 1.0
   42    60    62    39  -0.07550 -1.0 2.0
   42    60    62    39   0.20000  1.0 3.0
   42    60    62    64   0.56750  1.0 1.0
   42    60    62    64  -0.07550 -1.0 2.0
   42    60    62    64   0.20000  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    50   0.15000  1.0 3.0
   43    42    60    54   0.15000  1.0 3.0
   43    42    60    61   0.15000  1.0 3.0
   43    42    60    62   0.15000  1.0 3.0
   47    42    60    54   0.34400  1.0 1.0
   47    42    60    54   0.09450 -1.0 2.0
   47    42    60    54   0.11100  1.0 3.0
   47    42    60    61   0.15000  1.0 3.0
   47    42    60    62   0.56750  1.0 1.0
   47    42    60    62  -0.07550 -1.0 2.0
   47    42    60    62   0.20000  1.0 3.0
   47    50   -53    54   0.09850  1.0 1.0
   47    50   -53    54   0.15250 -1.0 2.0
   47    50   -53    54  -0.50650  1.0 3.0
   47    50    53    56   0.46850  1.0 1.0
   47    50    53    56   0.08550 -1.0 2.0
   47    50    53    56   0.09800  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    53   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   49    47    50    53   0.15000  1.0 3.0
   50    53    54    55   7.00000 -1.0 2.0
   50    53    54    60   7.00000 -1.0 2.0
   50    53    56    57   0.34800  1.0 3.0
   50    53    56    58   0.34800  1.0 3.0
   50    53    56    59   0.34800  1.0 3.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    56   0.34800  1.0 3.0
   52    50    53    54   0.00000  1.0 1.0
   52    50    53    56   0.34800  1.0 3.0
   53    54   -60    42   0.09850  1.0 1.0
   53    54   -60    42   0.15250 -1.0 2.0
   53    54   -60    42  -0.50650  1.0 3.0
   53    54    60    61   0.00000  1.0 1.0
   53    54    60    62   0.09850  1.0 1.0
   53    54    60    62   0.15250 -1.0 2.0
   53    54    60    62  -0.50650  1.0 3.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    58   0.00000  1.0 1.0
   54    53    56    59   0.00000  1.0 1.0
   54    60    62    63   0.15000  1.0 3.0
   54    60    62    39   0.34400  1.0 1.0
   54    60    62    39   0.09450 -1.0 2.0
   54    60    62    39   0.11100  1.0 3.0
   54    60    62    64   0.34400  1.0 1.0
   54    60    62    64   0.09450 -1.0 2.0
   54    60    62    64   0.11100  1.0 3.0
   55    54    60    42   0.00000  1.0 1.0
   55    54    60    61   0.33100  1.0 3.0
   55    54    60    62   0.00000  1.0 1.0
   60    42    47    48   0.15000  1.0 3.0
   60    42    47    49   0.15000  1.0 3.0
   60    42   -47    50   0.56750  1.0 1.0
   60    42   -47    50  -0.07550 -1.0 2.0
   60    42   -47    50   0.20000  1.0 3.0
   60    62   -39    33   0.56750  1.0 1.0
   60    62   -39    33  -0.07550 -1.0 2.0
   60    62   -39    33   0.20000  1.0 3.0
   60    62    39    40   0.15000  1.0 3.0
   60    62    39    41   0.15000  1.0 3.0
   60    62    64    65   0.15000  1.0 3.0
   60    62    64    66   0.56750  1.0 1.0
   60    62    64    66  -0.07550 -1.0 2.0
   60    62    64    66   0.20000  1.0 3.0
   60    62    64    70   0.56750  1.0 1.0
   60    62    64    70  -0.07550 -1.0 2.0
   60    62    64    70   0.20000  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    39   0.15000  1.0 3.0
   61    60    62    64   0.15000  1.0 3.0
   62    64    66    67   0.15000  1.0 3.0
   62    64    66    68   0.15000  1.0 3.0
   62    64    66    69   0.15000  1.0 3.0
   62    64    70    71   0.15000  1.0 3.0
   62    64    70    72   0.15000  1.0 3.0
   62    64    70    73   0.15000  1.0 3.0
   63    62    39    33   0.15000  1.0 3.0
   63    62    39    40   0.15000  1.0 3.0
   63    62    39    41   0.15000  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    70   0.15000  1.0 3.0
   39    33   -38    42   0.46850  1.0 1.0
   39    33   -38    42   0.08550 -1.0 2.0
   39    33   -38    42   0.09800  1.0 3.0
   39    33    38    44   0.09850  1.0 1.0
   39    33    38    44   0.15250 -1.0 2.0
   39    33    38    44  -0.50650  1.0 3.0
   39    62    64    65   0.15000  1.0 3.0
   39    62    64    66   0.56750  1.0 1.0
   39    62    64    66  -0.07550 -1.0 2.0
   39    62    64    66   0.20000  1.0 3.0
   39    62    64    70   0.56750  1.0 1.0
   39    62    64    70  -0.07550 -1.0 2.0
   39    62    64    70   0.20000  1.0 3.0
   64    62    39    33   0.56750  1.0 1.0
   64    62    39    33  -0.07550 -1.0 2.0
   64    62    39    33   0.20000  1.0 3.0
   64    62    39    40   0.15000  1.0 3.0
   64    62    39    41   0.15000  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    69   0.15000  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   65    64    70    73   0.15000  1.0 3.0
   66    64    70    71   0.15000  1.0 3.0
   66    64    70    72   0.15000  1.0 3.0
   66    64    70    73   0.15000  1.0 3.0
   70    64    66    67   0.15000  1.0 3.0
   70    64    66    68   0.15000  1.0 3.0
   70    64    66    69   0.15000  1.0 3.0
   56    53    54    55   7.00000 -1.0 2.0
   56    53    54    60   7.00000 -1.0 2.0
   44    38    42    43   0.00000  1.0 1.0
   44    38    42    47   0.09850  1.0 1.0
   44    38    42    47   0.15250 -1.0 2.0
   44    38    42    47  -0.50650  1.0 3.0
   44    38    42    60   0.09850  1.0 1.0
   44    38    42    60   0.15250 -1.0 2.0
   44    38    42    60  -0.50650  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    42    38    44   1.10000 -1.0 2.0
   50    56    53    54   1.10000 -1.0 2.0
   60    55    54    53   1.10000 -1.0 2.0
   45    46    44    38   1.10000 -1.0 2.0
END
