* LIGAND DATABASE FILE (OPLS2005)
*
001      69    71    125    194     363
    1     0 S   NP   _N1_     1    29.96647    97.37404   -23.37407
    2     1 S   H    _HN1     2     1.02897    42.91877   150.00800
    3     1 S   H    _H1_     3     1.03483   143.04405  -163.36362
    4     1 S   H    _H2_     4     1.02750    72.36144   -66.60160
    5     1 S   CT   _CA1     5     1.50542   101.48018    42.76549
    6     5 S   HC   _HA1     6     1.09659   104.22622   108.16397
    7     5 S   CO3  _C1_     7     1.54370   112.17881    -7.55832
    8     7 S   O2Z  _O11     8     1.26073   116.47044  -144.52149
    9     7 S   O2Z  _O12     9     1.26571   114.16160    35.74979
   10     5 S   CT   _CB1    10     1.53231   106.82078  -135.44836
   11    10 S   HC   HB11    11     1.09637   109.61970   -37.26082
   12    10 S   HC   HB12    12     1.09797   109.99225    78.41658
   13    10 S   CT   _CG1    13     1.53189   113.02685  -159.75880
   14    13 S   HC   HG11    14     1.09527   111.16832   -96.48124
   15    13 S   HC   HG12    15     1.09416   111.07614    22.80921
   16    13 S   C    _CD1    16     1.51409   109.92847   143.48579
   17    16 S   O    _OE1    17     1.22789   121.86146    85.48786
   18    16 S   N    _N2_    18     1.38515   112.55391   -91.64373
   19    18 S   H    _HN2    19     1.01582   119.18352    -3.56139
   20    18 S   CT1  _CA2    20     1.46185   123.43247   173.66491
   21    20 S   HC   _HA2    21     1.09701   109.31080   -11.26332
   22    20 S   C    _C2_    22     1.53711   108.39352  -127.05982
   23    22 S   O    _O2_    23     1.23047   122.16023  -153.92865
   24    20 S   CT   _CB2    32     1.53292   111.76284   111.28016
   25    24 S   HC   HB21    33     1.09354   109.49096    57.73994
   26    24 S   HC   HB22    34     1.09528   110.44147   176.06981
   27    22 S   N    _N3_    24     1.38345   113.81482    32.81638
   28    27 S   H    _HN3    25     1.01493   119.16162    -1.54028
   29    24 S   S    _SG2    35     1.82589   112.24071   -64.08282
   30    27 S   CT   _CA3    26     1.45319   123.46287   178.43715
   31    30 S   HC   HA31    27     1.09544   107.18104   -72.30926
   32    30 S   HC   HA32    28     1.09552   108.33616    44.14951
   33    29 S   CT   _C15    36     1.84575    99.50443   166.97756
   34    33 S   HC   _H3_    37     1.09546   108.42915    16.97698
   35    30 S   CO3  _C3_    29     1.53033   114.22145   166.27745
   36    35 S   O2Z  _O31    30     1.26441   116.26336    -5.58055
   37    35 S   O2Z  _O32    31     1.26392   114.47332   174.54081
   38    33 S   CT   _C14    38     1.53811   113.21219  -105.94961
   39    38 S   HC   _H27    39     1.09962   109.75370   164.06940
   40    38 S   CA   _C7_    40     1.51848   117.96547    41.76975
   41    38 S   OS   _O19    60     1.44119   104.21177   -84.40067
   42    40 S   CA   _C4_    41     1.40957   120.62528  -105.28348
   43    42 S   HA   _H23    42     1.08814   119.97349    -0.09279
   44    41 S   CO4  _C13    61     1.36993   109.58719   -26.25934
   45    44 S   O    _O17    62     1.22140   124.08878  -174.89075
   46    42 S   CA   _C6_    43     1.39566   120.86989   179.40983
   47    33 S   CT   _C16    63     1.53479   112.99075   140.57422
   48    46 S   CA   _C8_    44     1.38815   118.77326    -0.29074
   49    47 S   CT   _C17    64     1.52233   118.08192   -35.95879
   50    49 S   HC   _H29    65     1.09559   110.80230   -53.81720
   51    49 S   HC   _H30    66     1.09679   110.49124  -171.46908
   52    49 S   HC   _H31    67     1.09439   112.80674    68.76121
   53    47 S   OH   _O20    68     1.42826   109.38265  -160.46974
   54    53 S   HO   _H35    69     0.97290   107.85284    71.68720
   55    48 S   CA   _C5_    45     1.39337   121.94198     0.41543
   56    55 S   HA   _H24    46     1.08501   118.46964   179.71954
   57    48 S   OS   _O18    53     1.41022   120.63420  -179.42189
   58    40 S   CA   _C9_    47     1.41455   120.24538    74.21585
   59    57 S   CO4  _C12    54     1.39062   121.58448    -0.23239
   60    59 S   O    _O16    55     1.22567   121.95742  -179.90309
   61    58 S   OS   _O21    48     1.37314   115.80793     0.74362
   62    59 S   CM   _C11    56     1.47411   116.75943     0.08393
   63    62 S   HC   _H26    57     1.08449   117.09271   179.53945
   64    61 S   CT   _C18    49     1.42248   117.37597  -175.49933
   65    64 S   HC   _H32    50     1.09425   107.70907   177.51202
   66    64 S   HC   _H33    51     1.09509   111.18656    59.79617
   67    64 S   HC   _H34    52     1.09479   111.06896   -64.80810
   68    46 S   CM   _C10    58     1.45348   122.31232  -179.96044
   69    68 S   HC   _H25    59     1.08442   119.12179    -0.10835
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  14   6  13   7  10   4   8   3  10   6  10
   5   3   2   1   1   1   7   3   6   5   5   3   4   3   2   3
   2   1   1   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    47    49    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    58    41    44    45    47    49    50    51    52    53    54  
   38    39    40    41    44    47    49    53  
   36    37  
   37  
    0  
   39    40    42    43    46    55    58    61    41    44    45    47    49    53  
   40    42    58    41    44    47  
   42    43    46    48    55    56    58    61    64    68    41    44    47  
   44    45    47    49    53    42    58  
   43    46    48    55    58    61    57    62    68    69  
   46    48    58    68  
   45    47    49    50    51    52    53    54  
   47    49    53  
   48    55    56    58    57    59    62    63    68    69  
   49    50    51    52    53    54  
   55    56    58    61    57    59    60    62    68    69  
   50    51    52    53    54  
   51    52    53  
   52    53  
   53  
   54  
    0  
   56    58    61    64    57    59    68  
   58    61    57  
   59    60    62    63    68    58  
   61    64    65    66    67  
   60    62    63    68    69  
   62    63    68  
   64    65    66    67  
   63    68    69  
   68    69  
   65    66    67  
   66    67  
   67  
    0  
   69  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   41   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    47   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.510
   38    41   320.000  1.410
   40    42   469.000  1.400
   40    58   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    48   469.000  1.400
   46    68   320.000  1.460
   48    55   469.000  1.400
   48    57   450.000  1.364
   55    56   367.000  1.080
   55    58   469.000  1.400
   58    61   450.000  1.364
   61    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   57    59   214.000  1.327
   59    60   570.000  1.229
   59    62   320.000  1.462
   62    63   340.000  1.080
   62    68   549.000  1.340
   68    69   340.000  1.080
   41    44   214.000  1.327
   44    45   570.000  1.229
   44    47   317.000  1.522
   47    49   268.000  1.529
   47    53   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   53    54   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    47    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.17500
   33    38    41    50.00000  109.50000
   33    47    44    63.00000  111.10000
   33    47    49    58.35000  112.70000
   33    47    53    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    42    70.00000  120.00000
   38    40    58    70.00000  120.00000
   38    41    44    83.00000  116.90000
   40    38    39    35.00000  109.50000
   40    42    43    35.00000  120.00000
   40    42    46    63.00000  120.00000
   40    58    55    63.00000  120.00000
   40    58    61    70.00000  120.00000
   42    46    48    63.00000  120.00000
   42    46    68    60.00000  120.93500
   46    42    43    35.00000  120.00000
   46    48    55    63.00000  120.00000
   46    48    57    70.00000  120.00000
   46    68    62    60.00000  123.20500
   46    68    69    40.00000  117.26300
   48    55    56    35.00000  120.00000
   48    55    58    63.00000  120.00000
   48    57    59    85.00000  115.98000
   55    58    61    70.00000  120.00000
   58    40    42    63.00000  120.00000
   58    55    56    35.00000  120.00000
   58    61    64    75.00000  111.00000
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   57    48    55    70.00000  120.00000
   57    59    60    83.00000  123.40000
   57    59    62    90.00000  111.29400
   59    62    63    40.00000  117.72500
   59    62    68    65.00000  118.96000
   62    59    60    80.00000  123.72100
   62    68    69    35.00000  120.00000
   68    46    48    60.00000  120.93500
   68    62    63    35.00000  120.00000
   41    38    39    35.00000  109.50000
   41    38    40    85.00000  111.85700
   41    44    45    83.00000  123.40000
   41    44    47    81.00000  111.40000
   44    47    49    63.00000  111.10000
   44    47    53    90.00000  109.61100
   47    33    34    37.50000  110.70000
   47    33    38    58.35000  112.70000
   47    44    45    80.00000  120.40000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    52    37.50000  110.70000
   47    53    54    55.00000  108.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   53    47    49    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    47    44   0.56750  1.0 1.0
   29    33    47    44  -0.07550 -1.0 2.0
   29    33    47    44   0.20000  1.0 3.0
   29    33    47    49   0.44750  1.0 1.0
   29    33    47    49  -0.17800 -1.0 2.0
   29    33    47    49   0.20200  1.0 3.0
   29    33    47    53   0.56750  1.0 1.0
   29    33    47    53  -0.07550 -1.0 2.0
   29    33    47    53   0.20000  1.0 3.0
   33    38    40    42   0.04150 -1.0 2.0
   33    38    40    58   0.04150 -1.0 2.0
   33    38   -41    44  -0.25900  1.0 1.0
   33    38   -41    44  -0.47000 -1.0 2.0
   33    38   -41    44   0.11750  1.0 3.0
   33    47    49    50   0.15000  1.0 3.0
   33    47    49    51   0.15000  1.0 3.0
   33    47    49    52   0.15000  1.0 3.0
   33    47    53    54  -0.11600  1.0 1.0
   33    47    53    54  -0.09450 -1.0 2.0
   33    47    53    54   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.43200  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    47    44  -0.11250  1.0 3.0
   34    33    47    49   0.15000  1.0 3.0
   34    33    47    53   0.23400  1.0 3.0
   38    33   -47    44  -0.95700  1.0 1.0
   38    33   -47    44  -0.18200 -1.0 2.0
   38    33   -47    44   0.29450  1.0 3.0
   38    33    47    49   0.56750  1.0 1.0
   38    33    47    49  -0.07550 -1.0 2.0
   38    33    47    49   0.20000  1.0 3.0
   38    33    47    53   0.86500  1.0 1.0
   38    33    47    53  -0.17500 -1.0 2.0
   38    33    47    53   0.20800  1.0 3.0
   38    40    42    43   3.62500 -1.0 2.0
   38    40    42    46   3.62500 -1.0 2.0
   38    40    58    55   3.62500 -1.0 2.0
   38    40    58    61   3.62500 -1.0 2.0
   38    41    44    45   3.00000 -1.0 2.0
   38    41   -44    47   1.63150  1.0 1.0
   38    41   -44    47   2.92000 -1.0 2.0
   39    38    40    42   0.00000  1.0 1.0
   39    38    40    58   0.00000  1.0 1.0
   39    38    41    44   0.08050  1.0 3.0
   40    38    41    44  -0.43900 -1.0 2.0
   40    38    41    44   0.14100  1.0 3.0
   40    42    46    48   3.62500 -1.0 2.0
   40    42    46    68   3.62500 -1.0 2.0
   40    58    61    64   1.63200 -1.0 2.0
   42    40    58    55   3.62500 -1.0 2.0
   42    40    58    61   3.62500 -1.0 2.0
   42    46   -48    55   3.62500 -1.0 2.0
   42    46    48    57   3.62500 -1.0 2.0
   42    46    68    62   0.15800  1.0 1.0
   42    46    68    62   1.85350 -1.0 2.0
   42    46    68    62  -0.48700  1.0 3.0
   42    46    68    69   0.56550  1.0 3.0
   43    42    46    48   3.62500 -1.0 2.0
   43    42    46    68   3.62500 -1.0 2.0
   46    48    55    56   3.62500 -1.0 2.0
   46    48    55    58   3.62500 -1.0 2.0
   46    48    57    59   0.01300  1.0 1.0
   46    48    57    59   0.97950 -1.0 2.0
   46    48    57    59  -0.55700  1.0 3.0
   48    46    68    62   0.15800  1.0 1.0
   48    46    68    62   1.85350 -1.0 2.0
   48    46    68    62  -0.48700  1.0 3.0
   48    46    68    69   0.56550  1.0 3.0
   48    55   -58    40   3.62500 -1.0 2.0
   48    55    58    61   3.62500 -1.0 2.0
   48    57    59    60   3.00000 -1.0 2.0
   48    57   -59    62   2.00000 -1.0 2.0
   55    48    57    59   0.01300  1.0 1.0
   55    48    57    59   0.97950 -1.0 2.0
   55    48    57    59  -0.55700  1.0 3.0
   55    58    61    64   1.63200 -1.0 2.0
   56    55    58    40   3.62500 -1.0 2.0
   56    55    58    61   3.62500 -1.0 2.0
   58    40    42    43   3.62500 -1.0 2.0
   58    40   -42    46   3.62500 -1.0 2.0
   58    61    64    65   0.08050  1.0 3.0
   58    61    64    66   0.08050  1.0 3.0
   58    61    64    67   0.08050  1.0 3.0
   57    48    55    56   3.62500 -1.0 2.0
   57    48    55    58   3.62500 -1.0 2.0
   57    59    62    63   1.63100 -1.0 2.0
   57    59    62    68  -0.56150  1.0 1.0
   57    59    62    68   2.19150 -1.0 2.0
   59    62   -68    46   7.00000 -1.0 2.0
   59    62    68    69   7.00000 -1.0 2.0
   60    59    62    63   0.00000  1.0 1.0
   60    59    62    68   1.00000 -1.0 2.0
   63    62    68    46   7.00000 -1.0 2.0
   63    62    68    69   7.00000 -1.0 2.0
   68    46    48    55   3.62500 -1.0 2.0
   68    46   -48    57   3.62500 -1.0 2.0
   41    38    40    42   0.64500  1.0 1.0
   41    38    40    42   0.14800 -1.0 2.0
   41    38    40    42   0.20650  1.0 3.0
   41    38    40    58   0.64500  1.0 1.0
   41    38    40    58   0.14800 -1.0 2.0
   41    38    40    58   0.20650  1.0 3.0
   41    44   -47    33   0.36750  1.0 3.0
   41    44    47    49   0.36750  1.0 3.0
   41    44    47    53   0.30750  1.0 1.0
   41    44    47    53   1.13850 -1.0 2.0
   41    44    47    53   0.38850  1.0 3.0
   44    47    49    50  -0.11250  1.0 3.0
   44    47    49    51  -0.11250  1.0 3.0
   44    47    49    52  -0.11250  1.0 3.0
   44    47    53    54   0.91850  1.0 1.0
   44    47    53    54   0.57950  1.0 3.0
   45    44    47    33   0.30150 -1.0 2.0
   45    44    47    49   0.30150 -1.0 2.0
   45    44    47    53   0.30150 -1.0 2.0
   47    33    38    39   0.15000  1.0 3.0
   47    33    38    40  -0.03700  1.0 1.0
   47    33    38    40   0.37200 -1.0 2.0
   47    33    38    40  -0.47300  1.0 3.0
   47    33   -38    41   0.62750  1.0 1.0
   47    33   -38    41  -0.30950 -1.0 2.0
   47    33   -38    41   0.27300  1.0 3.0
   49    47    53    54  -0.11600  1.0 1.0
   49    47    53    54  -0.09450 -1.0 2.0
   49    47    53    54   0.21250  1.0 3.0
   53    47    49    50   0.23400  1.0 3.0
   53    47    49    51   0.23400  1.0 3.0
   53    47    49    52   0.23400  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   42    58    40    38   4.00000 -1.0 2.0
   46    43    42    40   1.10000 -1.0 2.0
   48    68    46    42   4.00000 -1.0 2.0
   55    57    48    46   4.00000 -1.0 2.0
   58    56    55    48   1.10000 -1.0 2.0
   55    61    58    40   4.00000 -1.0 2.0
   57    62    59    60  10.50000 -1.0 2.0
   59    63    62    68   1.10000 -1.0 2.0
   46    69    68    62   1.10000 -1.0 2.0
   41    47    44    45  10.50000 -1.0 2.0
END
