* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    141    229     425
    1     0 S   NP   _N1_     1    28.80696    96.15275   -24.27000
    2     1 S   H    _HN1     2     1.02799   113.57710   -99.38461
    3     1 S   H    _H1_     3     1.02946    72.71478     3.58124
    4     1 S   H    _H2_     4     1.02825    34.98018   172.87195
    5     1 S   CT   _CA1     5     1.50135   130.02800   106.04481
    6     5 S   HC   _HA1     6     1.09574   105.15235    93.66328
    7     5 S   CO3  _C1_     7     1.53748   112.38965   -26.55547
    8     7 S   O2Z  _O11     8     1.26380   115.00176   -44.13966
    9     7 S   O2Z  _O12     9     1.26219   114.92452   134.74268
   10     5 S   CT   _CB1    10     1.53036   107.38638  -148.39148
   11    10 S   HC   HB11    11     1.09850   109.31360   -49.15590
   12    10 S   HC   HB12    12     1.09810   110.49625    67.41085
   13    10 S   CT   _CG1    13     1.53057   112.67970  -170.05060
   14    13 S   HC   HG11    14     1.09563   110.83374   -68.22154
   15    13 S   HC   HG12    15     1.09662   109.65103    51.05943
   16    13 S   C    _CD1    16     1.51818   111.66843   171.61028
   17    16 S   O    _OE1    17     1.22783   123.04990    17.29125
   18    16 S   N    _N2_    18     1.38628   112.04682  -162.82712
   19    18 S   H    _HN2    19     1.01596   119.04223     0.65012
   20    18 S   CT1  _CA2    20     1.46240   123.24686   175.67781
   21    20 S   HC   _HA2    21     1.09742   109.30094     7.71938
   22    20 S   C    _C2_    22     1.53688   108.90270  -107.74613
   23    22 S   O    _O2_    23     1.23079   122.19877  -149.38201
   24    20 S   CT   _CB2    32     1.53366   111.60248   129.71749
   25    24 S   HC   HB21    33     1.09398   109.77254    58.11604
   26    24 S   HC   HB22    34     1.09400   109.74741   176.21431
   27    22 S   N    _N3_    24     1.38298   113.87470    38.14961
   28    27 S   H    _HN3    25     1.01537   119.60639    -3.36179
   29    24 S   S    _SG2    35     1.83233   111.05991   -64.65860
   30    27 S   CT   _CA3    26     1.45279   123.35251   177.20726
   31    30 S   HC   HA31    27     1.09544   107.51584   -64.82600
   32    30 S   HC   HA32    28     1.09552   108.00688    51.65293
   33    29 S   CT   _C8_    36     1.90059   101.94053   159.61980
   34    30 S   CO3  _C3_    29     1.52994   113.98771   173.63188
   35    34 S   O2Z  _O31    30     1.26394   116.06502    -0.84627
   36    34 S   O2Z  _O32    31     1.26420   114.42601   179.22167
   37    33 S   CT   _C9_    37     1.57756   103.60558   -74.87761
   38    37 S   HC   _H5_    38     1.09757   110.56103    32.52396
   39    33 S   CT   _C12    58     1.56709   110.58674    54.94232
   40    39 S   HC   _H6_    59     1.09504   109.36199   -53.85404
   41    37 S   CO4  _C10    39     1.52901   100.63265   -80.45854
   42    41 S   O    _O33    40     1.22213   126.31236   158.18243
   43    39 S   OH   _O37    60     1.43655   109.05930  -168.24661
   44    43 S   HO   _H20    61     0.97314   107.79686   155.85554
   45    37 S   CT   _C11    70     1.56166   118.66365   158.17644
   46    45 S   OM   _O35    71     1.32645   108.59102  -178.53593
   47    45 S   HC   _H13    72     1.10053   106.44480    53.81210
   48    45 S   HC   _H14    73     1.09809   105.46369   -54.99986
   49    41 S   OS   _O34    41     1.36500   110.27276   -20.63934
   50    33 S   CT   _C7_    42     1.54887   110.83764   179.01941
   51    50 S   HC   _H4_    43     1.09719   110.94105  -176.24079
   52    50 S   CT   _C6_    44     1.53782   119.05786   -49.57304
   53    52 S   HC   _H11    45     1.09931   108.04065   153.49581
   54    52 S   HC   _H12    46     1.09415   110.64437    42.10611
   55    52 S   CT   _C5_    47     1.55085   116.85971   -83.03813
   56    55 S   HC   _H3_    48     1.09828   107.75812   144.70748
   57    55 S   CT   _C14    49     1.54237   114.24820    23.00875
   58    57 S   HC   _H7_    50     1.09902   106.66259   -70.83485
   59    55 S   CT   _C4_    66     1.54059   108.55870  -100.93504
   60    59 S   HC   _H8_    67     1.09535   111.15297    64.84696
   61    59 S   HC   _H9_    68     1.09574   110.77148   -55.19758
   62    59 S   HC   _H10    69     1.09367   111.79104  -174.09243
   63    57 S   CM   _C15    51     1.51028   116.28379   173.98582
   64    63 S   HC   _H15    52     1.08168   123.34772    39.06906
   65    63 S   CM   _C16    53     1.33475   114.31810  -147.61050
   66    65 S   HC   _H16    54     1.07516   128.86227  -175.13264
   67    65 S   CO4  _C17    55     1.47163   105.40125     4.98059
   68    67 S   O    _O36    56     1.22215   122.73590  -170.43279
   69    57 S   CT   _C13    57     1.55845   115.84199    52.56697
   70    69 S   CT   _C18    62     1.54214   114.04706    43.24513
   71    70 S   HC   _H17    63     1.08911   113.60723   -60.27968
   72    70 S   HC   _H18    64     1.09549   110.78384   177.28921
   73    70 S   HC   _H19    65     1.09756   111.86493    59.28539
  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
  23   2   1   1  15   9  21   7   9   3   6   1   5   2   1   1
   6   9   4  12   5   4  13   8  16   7   5   2   1   1   7   4
   5   3   6   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    49    50    51    52    69    39    40    43    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    49    50    51    52    53    54    55    57    67    69    39    40    43    44    70    45    46    47    48  
   35    36  
   36  
    0  
   38    41    42    49    50    51    52    69    39    40    43    45    46    47    48  
   41    42    49    50    39    45    46    47    48  
   40    43    44    70    71    72    73    45    41    49    50    51    52    55    57    58    63    65    67    68    69  
   43    44    70    50    57    67    69  
   42    49    50    51    52    45    46    47    48  
   49    50    45  
   44    70    50    57    67    69  
   69  
   46    47    48    49    50  
   47    48  
   48  
    0  
   50    51    52    53    54    55  
   51    52    53    54    55    56    57    69    59  
   52    53    54    55  
   53    54    55    56    57    58    63    69    59    60    61    62  
   54    55    56    57    59  
   55    56    57    59  
   56    57    58    63    64    65    67    69    70    59    60    61    62  
   57    58    63    69    59    60    61    62  
   58    63    64    65    66    67    68    69    70    71    72    73    59    60    61    62  
   63    64    65    67    69    70    59  
   60    61    62    63    69  
   61    62  
   62  
    0  
   64    65    66    67    68    69    70  
   65    66    67    69  
   66    67    68    69    70  
   67    68    69  
   68    69    70    71    72    73  
   69    70  
   70    71    72    73  
   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   0.167500   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   47   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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    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    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    41   317.000  1.522
   37    45   268.000  1.529
   41    42   570.000  1.229
   41    49   214.000  1.327
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    59   268.000  1.529
   57    58   340.000  1.090
   57    63   317.000  1.510
   57    69   268.000  1.529
   63    64   340.000  1.080
   63    65   549.000  1.340
   65    66   340.000  1.080
   65    67   320.000  1.462
   67    68   570.000  1.229
   67    69   317.000  1.522
   69    39   268.000  1.529
   69    70   268.000  1.529
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    44   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   45    46   570.000  1.307
   45    47   340.000  1.090
   45    48   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    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    37    45    58.35000  112.70000
   33    50    49    50.00000  109.50000
   33    50    51    37.50000  110.70000
   33    50    52    58.35000  112.70000
   33    39    69    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   37    41    42    80.00000  120.40000
   37    41    49    81.00000  111.40000
   37    45    46    50.00000  109.50000
   37    45    47    37.50000  110.70000
   37    45    48    37.50000  110.70000
   41    37    38    35.00000  109.50000
   41    49    50    83.00000  116.90000
   49    41    42    83.00000  123.40000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   50    33    37    58.35000  112.70000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    55    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    58.35000  112.70000
   52    55    59    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    63    70.00000  112.02700
   55    57    69    58.35000  112.70000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    62    37.50000  110.70000
   57    55    56    37.50000  110.70000
   57    63    64    35.00000  117.00000
   57    63    65    70.00000  124.00000
   57    69    67    63.00000  111.10000
   57    69    39    58.35000  112.70000
   57    69    70    58.35000  112.70000
   63    57    58    35.00000  109.50000
   63    65    66    35.00000  120.00000
   63    65    67    65.00000  118.96000
   65    63    64    35.00000  120.00000
   65    67    68    80.00000  123.72100
   65    67    69    65.00000  118.62400
   67    65    66    40.00000  117.72500
   67    69    39    63.00000  111.10000
   67    69    70    63.00000  111.10000
   69    57    58    37.50000  110.70000
   69    57    63    70.00000  112.02700
   69    67    68    80.00000  120.40000
   69    39    40    37.50000  110.70000
   69    39    43    50.00000  109.50000
   69    70    71    37.50000  110.70000
   69    70    72    37.50000  110.70000
   69    70    73    37.50000  110.70000
   39    33    37    58.35000  112.70000
   39    33    50    58.35000  112.70000
   39    43    44    55.00000  108.50000
   43    39    40    35.00000  109.50000
   70    69    39    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
   59    55    56    37.50000  110.70000
   59    55    57    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   45    37    38    37.50000  110.70000
   45    37    41    63.00000  111.10000
   47    45    46    45.00000  125.66300
   48    45    46    45.00000  125.66300
   48    45    47    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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  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    37    38   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    50    49   0.56750  1.0 1.0
   29    33    50    49  -0.07550 -1.0 2.0
   29    33    50    49   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    52   0.44750  1.0 1.0
   29    33    50    52  -0.17800 -1.0 2.0
   29    33    50    52   0.20200  1.0 3.0
   29    33    39    69   0.44750  1.0 1.0
   29    33    39    69  -0.17800 -1.0 2.0
   29    33    39    69   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37   -41    49   0.36750  1.0 3.0
   33    37    45    46   0.62750  1.0 1.0
   33    37    45    46  -0.30950 -1.0 2.0
   33    37    45    46   0.27300  1.0 3.0
   33    37    45    47   0.15000  1.0 3.0
   33    37    45    48   0.15000  1.0 3.0
   33    50    52    53   0.15000  1.0 3.0
   33    50    52    54   0.15000  1.0 3.0
   33    50    52    55   0.56750  1.0 1.0
   33    50    52    55  -0.07550 -1.0 2.0
   33    50    52    55   0.20000  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   37    33   -50    49   0.62750  1.0 1.0
   37    33   -50    49  -0.30950 -1.0 2.0
   37    33   -50    49   0.27300  1.0 3.0
   37    33    50    51   0.15000  1.0 3.0
   37    33    50    52   0.56750  1.0 1.0
   37    33    50    52  -0.07550 -1.0 2.0
   37    33    50    52   0.20000  1.0 3.0
   37    33    39    69   0.56750  1.0 1.0
   37    33    39    69  -0.07550 -1.0 2.0
   37    33    39    69   0.20000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    43   0.86500  1.0 1.0
   37    33    39    43  -0.17500 -1.0 2.0
   37    33    39    43   0.20800  1.0 3.0
   37    41   -49    50   1.63150  1.0 1.0
   37    41   -49    50   2.92000 -1.0 2.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    49   0.00000  1.0 1.0
   38    37    45    46   0.23400  1.0 3.0
   38    37    45    47   0.15000  1.0 3.0
   38    37    45    48   0.15000  1.0 3.0
   41    37    45    46  -0.09450  1.0 1.0
   41    37    45    46  -1.12950 -1.0 2.0
   41    37    45    46   0.54000  1.0 3.0
   41    37    45    47  -0.11250  1.0 3.0
   41    37    45    48  -0.11250  1.0 3.0
   41    49   -50    33  -0.25900  1.0 1.0
   41    49   -50    33  -0.47000 -1.0 2.0
   41    49   -50    33   0.11750  1.0 3.0
   41    49    50    51   0.08050  1.0 3.0
   41    49    50    52  -0.25900  1.0 1.0
   41    49    50    52  -0.47000 -1.0 2.0
   41    49    50    52   0.11750  1.0 3.0
   42    41    49    50   3.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    54   0.23400  1.0 3.0
   49    50    52    55   0.62750  1.0 1.0
   49    50    52    55  -0.30950 -1.0 2.0
   49    50    52    55   0.27300  1.0 3.0
   50    33    37    38   0.15000  1.0 3.0
   50    33   -37    41  -0.95700  1.0 1.0
   50    33   -37    41  -0.18200 -1.0 2.0
   50    33   -37    41   0.29450  1.0 3.0
   50    33    37    45   0.56750  1.0 1.0
   50    33    37    45  -0.07550 -1.0 2.0
   50    33    37    45   0.20000  1.0 3.0
   50    33    39    69   0.56750  1.0 1.0
   50    33    39    69  -0.07550 -1.0 2.0
   50    33    39    69   0.20000  1.0 3.0
   50    33    39    40   0.15000  1.0 3.0
   50    33    39    43   0.86500  1.0 1.0
   50    33    39    43  -0.17500 -1.0 2.0
   50    33    39    43   0.20800  1.0 3.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57   0.56750  1.0 1.0
   50    52    55    57  -0.07550 -1.0 2.0
   50    52    55    57   0.20000  1.0 3.0
   50    52    55    59   0.56750  1.0 1.0
   50    52    55    59  -0.07550 -1.0 2.0
   50    52    55    59   0.20000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   52    55    57    58   0.15000  1.0 3.0
   52    55    57    63   0.34400  1.0 1.0
   52    55    57    63   0.09450 -1.0 2.0
   52    55    57    63   0.11100  1.0 3.0
   52    55    57    69   0.56750  1.0 1.0
   52    55    57    69  -0.07550 -1.0 2.0
   52    55    57    69   0.20000  1.0 3.0
   52    55    59    60   0.15000  1.0 3.0
   52    55    59    61   0.15000  1.0 3.0
   52    55    59    62   0.15000  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    59   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    59   0.15000  1.0 3.0
   55    57    63    64   0.00000  1.0 1.0
   55    57    63    65   0.09850  1.0 1.0
   55    57    63    65   0.15250 -1.0 2.0
   55    57    63    65  -0.50650  1.0 3.0
   55    57    69    67  -0.95700  1.0 1.0
   55    57    69    67  -0.18200 -1.0 2.0
   55    57    69    67   0.29450  1.0 3.0
   55    57    69    39   0.56750  1.0 1.0
   55    57    69    39  -0.07550 -1.0 2.0
   55    57    69    39   0.20000  1.0 3.0
   55    57    69    70   0.56750  1.0 1.0
   55    57    69    70  -0.07550 -1.0 2.0
   55    57    69    70   0.20000  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    63   0.15000  1.0 3.0
   56    55    57    69   0.15000  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    62   0.15000  1.0 3.0
   57    55    59    60   0.15000  1.0 3.0
   57    55    59    61   0.15000  1.0 3.0
   57    55    59    62   0.15000  1.0 3.0
   57    63    65    66   7.00000 -1.0 2.0
   57    63   -65    67   7.00000 -1.0 2.0
   57    69    39    33   0.56750  1.0 1.0
   57    69    39    33  -0.07550 -1.0 2.0
   57    69    39    33   0.20000  1.0 3.0
   57    69    39    40   0.15000  1.0 3.0
   57    69    39    43   0.86500  1.0 1.0
   57    69    39    43  -0.17500 -1.0 2.0
   57    69    39    43   0.20800  1.0 3.0
   57    69    70    71   0.15000  1.0 3.0
   57    69    70    72   0.15000  1.0 3.0
   57    69    70    73   0.15000  1.0 3.0
   58    57    63    64   0.33100  1.0 3.0
   58    57    63    65   0.00000  1.0 1.0
   58    57    69    67  -0.11250  1.0 3.0
   58    57    69    39   0.15000  1.0 3.0
   58    57    69    70   0.15000  1.0 3.0
   63    57   -69    67  -0.98800  1.0 1.0
   63    57   -69    67   0.48800 -1.0 2.0
   63    57   -69    67   0.76800  1.0 3.0
   63    57    69    39   0.34400  1.0 1.0
   63    57    69    39   0.09450 -1.0 2.0
   63    57    69    39   0.11100  1.0 3.0
   63    57    69    70   0.34400  1.0 1.0
   63    57    69    70   0.09450 -1.0 2.0
   63    57    69    70   0.11100  1.0 3.0
   63    65    67    68   1.00000 -1.0 2.0
   63    65   -67    69  -0.33500  1.0 1.0
   63    65   -67    69   1.06600 -1.0 2.0
   63    65   -67    69  -0.14000  1.0 3.0
   64    63    65    66   7.00000 -1.0 2.0
   64    63    65    67   7.00000 -1.0 2.0
   65    67   -69    57   0.65300  1.0 1.0
   65    67   -69    57  -0.03850 -1.0 2.0
   65    67   -69    57   0.33900  1.0 3.0
   65    67    69    39   0.65300  1.0 1.0
   65    67    69    39  -0.03850 -1.0 2.0
   65    67    69    39   0.33900  1.0 3.0
   65    67    69    70   0.65300  1.0 1.0
   65    67    69    70  -0.03850 -1.0 2.0
   65    67    69    70   0.33900  1.0 3.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    69   0.04550  1.0 1.0
   66    65    67    69   0.83000 -1.0 2.0
   66    65    67    69  -0.04000  1.0 3.0
   67    69    39    33  -0.95700  1.0 1.0
   67    69    39    33  -0.18200 -1.0 2.0
   67    69    39    33   0.29450  1.0 3.0
   67    69    39    40  -0.11250  1.0 3.0
   67    69    39    43  -0.09450  1.0 1.0
   67    69    39    43  -1.12950 -1.0 2.0
   67    69    39    43   0.54000  1.0 3.0
   67    69    70    71  -0.11250  1.0 3.0
   67    69    70    72  -0.11250  1.0 3.0
   67    69    70    73  -0.11250  1.0 3.0
   68    67    69    57   0.30150 -1.0 2.0
   68    67    69    39   0.30150 -1.0 2.0
   68    67    69    70   0.30150 -1.0 2.0
   69    57    63    64   0.00000  1.0 1.0
   69    57   -63    65   0.09850  1.0 1.0
   69    57   -63    65   0.15250 -1.0 2.0
   69    57   -63    65  -0.50650  1.0 3.0
   69    39    43    44  -0.11600  1.0 1.0
   69    39    43    44  -0.09450 -1.0 2.0
   69    39    43    44   0.21250  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    41  -0.95700  1.0 1.0
   39    33    37    41  -0.18200 -1.0 2.0
   39    33    37    41   0.29450  1.0 3.0
   39    33    37    45   0.56750  1.0 1.0
   39    33    37    45  -0.07550 -1.0 2.0
   39    33    37    45   0.20000  1.0 3.0
   39    33    50    49   0.62750  1.0 1.0
   39    33    50    49  -0.30950 -1.0 2.0
   39    33    50    49   0.27300  1.0 3.0
   39    33    50    51   0.15000  1.0 3.0
   39    33    50    52   0.56750  1.0 1.0
   39    33    50    52  -0.07550 -1.0 2.0
   39    33    50    52   0.20000  1.0 3.0
   39    69    70    71   0.15000  1.0 3.0
   39    69    70    72   0.15000  1.0 3.0
   39    69    70    73   0.15000  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   70    69    39    33   0.56750  1.0 1.0
   70    69    39    33  -0.07550 -1.0 2.0
   70    69    39    33   0.20000  1.0 3.0
   70    69    39    40   0.15000  1.0 3.0
   70    69    39    43   0.86500  1.0 1.0
   70    69    39    43  -0.17500 -1.0 2.0
   70    69    39    43   0.20800  1.0 3.0
   59    55    57    58   0.15000  1.0 3.0
   59    55    57    63   0.34400  1.0 1.0
   59    55    57    63   0.09450 -1.0 2.0
   59    55    57    63   0.11100  1.0 3.0
   59    55    57    69   0.56750  1.0 1.0
   59    55    57    69  -0.07550 -1.0 2.0
   59    55    57    69   0.20000  1.0 3.0
   45    37    41    42   0.30150 -1.0 2.0
   45    37    41    49   0.36750  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
   37    49    41    42  10.50000 -1.0 2.0
   57    64    63    65   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   65    69    67    68  10.50000 -1.0 2.0
END
