* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    138    213     410
    1     0 S   NP   _N1_     1    28.74200    93.56233   -22.41051
    2     1 S   H    _HN1     2     1.02777   101.08725   -72.97028
    3     1 S   H    _H1_     3     1.02965    90.23525    35.74647
    4     1 S   H    _H2_     4     1.02831    21.97866   176.39321
    5     1 S   CT   _CA1     5     1.50124   131.40846   153.62796
    6     5 S   HC   _HA1     6     1.09579   105.22686    67.98888
    7     5 S   CO3  _C1_     7     1.53777   112.39896   -52.15790
    8     7 S   O2Z  _O11     8     1.26351   115.01171   -43.95044
    9     7 S   O2Z  _O12     9     1.26245   114.91430   135.22801
   10     5 S   CT   _CB1    10     1.53093   107.39932  -174.18722
   11    10 S   HC   HB11    11     1.09823   109.23601   -51.58035
   12    10 S   HC   HB12    12     1.09821   110.43871    64.92360
   13    10 S   CT   _CG1    13     1.53005   112.72334  -172.75538
   14    13 S   HC   HG11    14     1.09600   110.36647   -64.42225
   15    13 S   HC   HG12    15     1.09650   110.04444    54.78947
   16    13 S   C    _CD1    16     1.51821   112.32638   175.02224
   17    16 S   O    _OE1    17     1.22723   123.26060    -4.95820
   18    16 S   N    _N2_    18     1.38642   111.64663   175.53314
   19    18 S   H    _HN2    19     1.01582   119.03197     0.89065
   20    18 S   CT1  _CA2    20     1.46191   123.35263   179.79252
   21    20 S   HC   _HA2    21     1.09746   109.38829    -8.79221
   22    20 S   C    _C2_    22     1.53486   108.34720  -124.31601
   23    22 S   O    _O2_    23     1.23022   122.21404  -145.83679
   24    20 S   CT   _CB2    32     1.53637   111.64632   113.28414
   25    24 S   HC   HB21    33     1.09353   109.37168    56.07161
   26    24 S   HC   HB22    34     1.09340   109.33148   174.73296
   27    22 S   N    _N3_    24     1.38498   113.41765    41.52628
   28    27 S   H    _HN3    25     1.01518   118.92530    -0.69774
   29    24 S   S    _SG2    35     1.82975   111.20280   -65.49375
   30    27 S   CT   _CA3    26     1.45456   123.52099   175.07232
   31    30 S   HC   HA31    27     1.09520   109.32802    22.63243
   32    30 S   HC   HA32    28     1.09501   107.10062   139.65789
   33    29 S   CT   _C9_    36     1.86561   103.17715   176.64468
   34    30 S   CO3  _C3_    29     1.52926   113.04519  -100.90309
   35    34 S   O2Z  _O31    30     1.26411   115.38389   -44.79090
   36    34 S   O2Z  _O32    31     1.26352   114.99495   136.11963
   37    33 S   CT   _C8_    37     1.56949   112.58670    49.20735
   38    37 S   HC   _H12    38     1.09885   108.47529   -66.63177
   39    37 S   HC   _H13    39     1.09925   108.74469  -178.67219
   40    33 S   CT   _C10    60     1.59186   110.22444   178.36985
   41    40 S   HC   _H3_    61     1.09948   107.24331    80.76671
   42    33 S   CT   _C18    71     1.55482   106.63821   -66.82665
   43    42 S   HC   _H21    72     1.09657   111.80352   -55.94689
   44    42 S   HC   _H22    73     1.09598   111.03244  -175.56112
   45    42 S   HC   _H23    74     1.09441   112.66198    65.65702
   46    37 S   CT   _C7_    40     1.54226   120.24526    55.83753
   47    46 S   HC   _H10    41     1.09214   109.73227   -56.30216
   48    46 S   HC   _H11    42     1.09698   108.07458  -172.13106
   49    40 S   OH   _O35    62     1.42860   110.04697  -165.33023
   50    49 S   HO   _H20    63     0.97167   108.16653   -63.69016
   51    46 S   CM   _C6_    43     1.49546   112.05700    69.43287
   52    51 S   HC   _H9_    44     1.08774   113.88686    43.05097
   53    51 S   CM   _C5_    45     1.34648   127.47138  -130.28094
   54    53 S   CT   _C14    46     1.51482   120.38218   162.45303
   55    54 S   HC   _H16    47     1.09747   108.14224    83.21890
   56    54 S   HC   _H17    48     1.09665   109.34481  -162.03792
   57    53 S   CT   _C4_    67     1.50419   124.49564   -12.15135
   58    57 S   HC   _H6_    68     1.09459   110.50905   109.11936
   59    57 S   HC   _H7_    69     1.09281   113.12929   -12.48273
   60    57 S   HC   _H8_    70     1.09554   109.80777  -131.44324
   61    54 S   CT   _C13    49     1.54560   116.02797   -39.58006
   62    61 S   HC   _H14    50     1.09539   109.53753    62.64731
   63    61 S   HC   _H15    51     1.09877   106.97232   174.80533
   64    61 S   CT   _C12    52     1.54699   118.32380   -63.16576
   65    64 S   HC   _H5_    53     1.10026   106.95169   177.52061
   66    64 S   CM   _C15    54     1.49676   116.91370   -64.30700
   67    66 S   CO4  _C17    55     1.47896   108.12341   155.64334
   68    67 S   O    _O33    56     1.21725   127.21399   167.97239
   69    66 S   CM   _C16    64     1.33599   130.81511   -23.91293
   70    69 S   HC   _H18    65     1.08417   121.44678    -0.63458
   71    69 S   HC   _H19    66     1.08547   121.58062   179.66370
   72    67 S   OS   _O34    57     1.36260   106.79895   -10.45440
   73    64 S   CT   _C11    58     1.53562   118.62727    54.75464
   74    73 S   HC   _H4_    59     1.08784   111.77076   -49.32532
  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  13   5   4   3
  19   2   1   1  16   7   6  16   7   6   2   1   1   7   4   3
   5   1  10   3  11  13   6   5   4   2   1   1  10   5   4  10
   6   8   7   3   4   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    73    40    41    49    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    48    51    64    72    73    74    40    41    49    50    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    48    51    52    53    73    40    41    49    42    43    44    45  
   39    46    47    48    51    40    42  
   46    47    48    51    40    42  
   41    49    50    42    43    44    45    46    61    64    65    66    67    72    73    74  
   49    50    42    64    72    73    74  
   43    44    45    46    49    73  
   44    45  
   45  
    0  
   47    48    51    52    53    54    57  
   48    51    52    53  
   51    52    53  
   50    64    72    73    74  
   73  
   52    53    54    55    56    61    57    58    59    60  
   53    54    57  
   54    55    56    61    62    63    64    57    58    59    60  
   55    56    61    62    63    64    65    66    73    57    58    59    60  
   56    61    62    63    64    57  
   61    62    63    64    57  
   58    59    60    61  
   59    60  
   60  
    0  
   62    63    64    65    66    67    72    73    74    69  
   63    64    65    66    73  
   64    65    66    73  
   65    66    67    68    72    73    74    69    70    71  
   66    67    72    73    74    69  
   67    68    72    73    74    69    70    71  
   68    72    73    74    69    70    71  
   72    73    69  
   70    71    72    73  
   71  
    0  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.030000   1.3810   1.2100   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   317.000  1.510
   51    52   340.000  1.080
   51    53   549.000  1.340
   53    54   317.000  1.510
   53    57   317.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   317.000  1.510
   64    73   268.000  1.529
   66    67   320.000  1.462
   66    69   549.000  1.340
   67    68   570.000  1.229
   67    72   214.000  1.327
   72    73   320.000  1.410
   73    74   340.000  1.090
   73    40   268.000  1.529
   40    41   340.000  1.090
   40    49   320.000  1.410
   49    50   553.000  0.945
   69    70   340.000  1.080
   69    71   340.000  1.080
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    40    73    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    49    50.00000  109.50000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    48    37.50000  110.70000
   37    46    51    70.00000  112.02700
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    51    52    35.00000  117.00000
   46    51    53    70.00000  124.00000
   48    46    47    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    48    35.00000  109.50000
   51    53    54    70.00000  124.00000
   51    53    57    70.00000  124.00000
   53    51    52    35.00000  120.00000
   53    54    55    35.00000  109.50000
   53    54    56    35.00000  109.50000
   53    54    61    70.00000  112.02700
   53    57    58    35.00000  109.50000
   53    57    59    35.00000  109.50000
   53    57    60    35.00000  109.50000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    64    58.35000  112.70000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    70.00000  112.02700
   61    64    73    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    66    67    65.00000  116.34900
   64    66    69    70.00000  124.00000
   64    73    72    50.00000  109.50000
   64    73    74    37.50000  110.70000
   64    73    40    58.35000  112.70000
   66    64    65    35.00000  109.50000
   66    67    68    80.00000  123.72100
   66    67    72    90.00000  111.29400
   66    69    70    35.00000  120.00000
   66    69    71    35.00000  120.00000
   67    72    73    83.00000  116.90000
   72    67    68    83.00000  123.40000
   72    73    74    35.00000  109.50000
   72    73    40    50.00000  109.50000
   73    64    65    37.50000  110.70000
   73    64    66    70.00000  112.02700
   73    40    41    37.50000  110.70000
   73    40    49    50.00000  109.50000
   40    33    37    58.35000  112.70000
   40    73    74    37.50000  110.70000
   40    49    50    55.00000  108.50000
   49    40    41    35.00000  109.50000
   69    66    67    65.00000  118.96000
   71    69    70    35.00000  117.00000
   57    53    54    65.00000  117.92700
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    40    73   0.44750  1.0 1.0
   29    33    40    73  -0.17800 -1.0 2.0
   29    33    40    73   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    49   0.56750  1.0 1.0
   29    33    40    49  -0.07550 -1.0 2.0
   29    33    40    49   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    48   0.15000  1.0 3.0
   33    37    46    51   0.34400  1.0 1.0
   33    37    46    51   0.09450 -1.0 2.0
   33    37    46    51   0.11100  1.0 3.0
   33    40    49    50  -0.11600  1.0 1.0
   33    40    49    50  -0.09450 -1.0 2.0
   33    40    49    50   0.21250  1.0 3.0
   37    33    40    73   0.56750  1.0 1.0
   37    33    40    73  -0.07550 -1.0 2.0
   37    33    40    73   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    49   0.86500  1.0 1.0
   37    33    40    49  -0.17500 -1.0 2.0
   37    33    40    49   0.20800  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    51    52   0.00000  1.0 1.0
   37    46    51    53   0.09850  1.0 1.0
   37    46    51    53   0.15250 -1.0 2.0
   37    46    51    53  -0.50650  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    48   0.15000  1.0 3.0
   38    37    46    51   0.15000  1.0 3.0
   39    37    46    47   0.15000  1.0 3.0
   39    37    46    48   0.15000  1.0 3.0
   39    37    46    51   0.15000  1.0 3.0
   46    51    53    54   7.00000 -1.0 2.0
   46    51    53    57   7.00000 -1.0 2.0
   47    46    51    52   0.33100  1.0 3.0
   47    46    51    53   0.00000  1.0 1.0
   48    46    51    52   0.33100  1.0 3.0
   48    46    51    53   0.00000  1.0 1.0
   51    53    54    55   0.00000  1.0 1.0
   51    53    54    56   0.00000  1.0 1.0
   51    53    54    61   0.09850  1.0 1.0
   51    53    54    61   0.15250 -1.0 2.0
   51    53    54    61  -0.50650  1.0 3.0
   51    53    57    58   0.00000  1.0 1.0
   51    53    57    59   0.00000  1.0 1.0
   51    53    57    60   0.00000  1.0 1.0
   52    51    53    54   7.00000 -1.0 2.0
   52    51    53    57   7.00000 -1.0 2.0
   53    54    61    62   0.15000  1.0 3.0
   53    54    61    63   0.15000  1.0 3.0
   53    54    61    64   0.34400  1.0 1.0
   53    54    61    64   0.09450 -1.0 2.0
   53    54    61    64   0.11100  1.0 3.0
   54    53    57    58   0.34800  1.0 3.0
   54    53    57    59   0.34800  1.0 3.0
   54    53    57    60   0.34800  1.0 3.0
   54    61    64    65   0.15000  1.0 3.0
   54    61    64    66   0.34400  1.0 1.0
   54    61    64    66   0.09450 -1.0 2.0
   54    61    64    66   0.11100  1.0 3.0
   54    61    64    73   0.56750  1.0 1.0
   54    61    64    73  -0.07550 -1.0 2.0
   54    61    64    73   0.20000  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    64   0.15000  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    63   0.15000  1.0 3.0
   56    54    61    64   0.15000  1.0 3.0
   61    64    66    67   0.09700  1.0 1.0
   61    64    66    67   0.15600 -1.0 2.0
   61    64    66    67  -0.50800  1.0 3.0
   61    64    66    69   0.09850  1.0 1.0
   61    64    66    69   0.15250 -1.0 2.0
   61    64    66    69  -0.50650  1.0 3.0
   61    64    73    72   0.62750  1.0 1.0
   61    64    73    72  -0.30950 -1.0 2.0
   61    64    73    72   0.27300  1.0 3.0
   61    64    73    74   0.15000  1.0 3.0
   61    64    73    40   0.56750  1.0 1.0
   61    64    73    40  -0.07550 -1.0 2.0
   61    64    73    40   0.20000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    73   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    73   0.15000  1.0 3.0
   64    66    67    68  -0.64400  1.0 1.0
   64    66    67    68   0.26850 -1.0 2.0
   64    66   -67    72  -0.15000  1.0 1.0
   64    66   -67    72   0.89550 -1.0 2.0
   64    66   -67    72  -0.06900  1.0 3.0
   64    66    69    70   7.00000 -1.0 2.0
   64    66    69    71   7.00000 -1.0 2.0
   64    73    40    33   0.56750  1.0 1.0
   64    73    40    33  -0.07550 -1.0 2.0
   64    73    40    33   0.20000  1.0 3.0
   64    73    40    41   0.15000  1.0 3.0
   64    73    40    49   0.86500  1.0 1.0
   64    73    40    49  -0.17500 -1.0 2.0
   64    73    40    49   0.20800  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    69   0.00000  1.0 1.0
   65    64    73    72   0.23400  1.0 3.0
   65    64    73    74   0.15000  1.0 3.0
   65    64    73    40   0.15000  1.0 3.0
   66    64   -73    72   0.61850  1.0 1.0
   66    64   -73    72  -0.22750 -1.0 2.0
   66    64   -73    72   0.15300  1.0 3.0
   66    64    73    74   0.15000  1.0 3.0
   66    64    73    40   0.34400  1.0 1.0
   66    64    73    40   0.09450 -1.0 2.0
   66    64    73    40   0.11100  1.0 3.0
   66    67   -72    73   2.00000 -1.0 2.0
   67    66    69    70   7.00000 -1.0 2.0
   67    66    69    71   7.00000 -1.0 2.0
   67    72   -73    64  -0.25900  1.0 1.0
   67    72   -73    64  -0.47000 -1.0 2.0
   67    72   -73    64   0.11750  1.0 3.0
   67    72    73    74   0.08050  1.0 3.0
   67    72    73    40  -0.25900  1.0 1.0
   67    72    73    40  -0.47000 -1.0 2.0
   67    72    73    40   0.11750  1.0 3.0
   68    67    72    73   3.00000 -1.0 2.0
   72    73    40    33   0.62750  1.0 1.0
   72    73    40    33  -0.30950 -1.0 2.0
   72    73    40    33   0.27300  1.0 3.0
   72    73    40    41   0.23400  1.0 3.0
   72    73    40    49   3.69350  1.0 1.0
   72    73    40    49  -1.82950 -1.0 2.0
   73    64   -66    67   0.09700  1.0 1.0
   73    64   -66    67   0.15600 -1.0 2.0
   73    64   -66    67  -0.50800  1.0 3.0
   73    64    66    69   0.09850  1.0 1.0
   73    64    66    69   0.15250 -1.0 2.0
   73    64    66    69  -0.50650  1.0 3.0
   73    40    49    50  -0.11600  1.0 1.0
   73    40    49    50  -0.09450 -1.0 2.0
   73    40    49    50   0.21250  1.0 3.0
   74    73    40    33   0.15000  1.0 3.0
   74    73    40    41   0.15000  1.0 3.0
   74    73    40    49   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46   0.56750  1.0 1.0
   40    33    37    46  -0.07550 -1.0 2.0
   40    33    37    46   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   41    40    49    50   0.19450  1.0 3.0
   69    66    67    68   1.00000 -1.0 2.0
   69    66    67    72  -0.56150  1.0 1.0
   69    66    67    72   2.19150 -1.0 2.0
   57    53    54    55   0.34800  1.0 3.0
   57    53    54    56   0.34800  1.0 3.0
   57    53    54    61   0.46850  1.0 1.0
   57    53    54    61   0.08550 -1.0 2.0
   57    53    54    61   0.09800  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46   0.56750  1.0 1.0
   42    33    37    46  -0.07550 -1.0 2.0
   42    33    37    46   0.20000  1.0 3.0
   42    33    40    73   0.56750  1.0 1.0
   42    33    40    73  -0.07550 -1.0 2.0
   42    33    40    73   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    49   0.86500  1.0 1.0
   42    33    40    49  -0.17500 -1.0 2.0
   42    33    40    49   0.20800  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
   35    30    34    36  10.50000 -1.0 2.0
   46    52    51    53   1.10000 -1.0 2.0
   54    57    53    51   1.10000 -1.0 2.0
   64    67    66    69   1.10000 -1.0 2.0
   66    72    67    68  10.50000 -1.0 2.0
   70    71    69    66   1.10000 -1.0 2.0
END
