* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    144    222     420
    1     0 S   NP   _N1_     1    28.78721    96.87050   -24.06637
    2     1 S   H    _HN1     2     1.02950    69.61883     5.52368
    3     1 S   H    _H1_     3     1.02827    38.83752   169.47572
    4     1 S   H    _H2_     4     1.02785   110.51895   -97.17980
    5     1 S   CT   _CA1     5     1.50115   134.31408   104.53978
    6     5 S   HC   _HA1     6     1.09574   105.18782    96.62687
    7     5 S   CO3  _C1_     7     1.53781   112.47882   -23.58479
    8     7 S   O2Z  _O11     8     1.26370   115.00413   -42.20408
    9     7 S   O2Z  _O12     9     1.26242   114.94638   136.92042
   10     5 S   CT   _CB1    10     1.53079   107.41602  -145.40632
   11    10 S   HC   HB11    11     1.09833   109.33972   -49.85858
   12    10 S   HC   HB12    12     1.09812   110.45960    66.74308
   13    10 S   CT   _CG1    13     1.52989   112.61504  -170.84680
   14    13 S   HC   HG11    14     1.09581   110.62663   -66.17000
   15    13 S   HC   HG12    15     1.09672   109.78053    53.05746
   16    13 S   C    _CD1    16     1.51803   112.23364   173.48494
   17    16 S   O    _OE1    17     1.22730   123.29460     7.07396
   18    16 S   N    _N2_    18     1.38658   111.66636  -172.93970
   19    18 S   H    _HN2    19     1.01578   118.92111     1.60839
   20    18 S   CT1  _CA2    20     1.46191   123.39871   177.15139
   21    20 S   HC   _HA2    21     1.09737   109.37566     3.43262
   22    20 S   C    _C2_    22     1.53589   108.61627  -112.03721
   23    22 S   O    _O2_    23     1.23064   122.28042  -147.90040
   24    20 S   CT   _CB2    32     1.53418   111.64498   125.48475
   25    24 S   HC   HB21    33     1.09509   109.67078    55.68864
   26    24 S   HC   HB22    34     1.09413   109.78231   174.56094
   27    22 S   N    _N3_    24     1.38322   113.72849    39.54179
   28    27 S   H    _HN3    25     1.01578   119.60099    -3.26507
   29    24 S   S    _SG2    35     1.83198   111.27434   -64.86441
   30    27 S   CT   _CA3    26     1.45286   123.22439   177.16117
   31    30 S   HC   HA31    27     1.09549   107.50725   -64.70851
   32    30 S   HC   HA32    28     1.09556   107.99186    51.73533
   33    29 S   CT   _C13    36     1.88084   101.55862  -169.45247
   34    30 S   CO3  _C3_    29     1.52964   114.06887   173.73543
   35    34 S   O2Z  _O31    30     1.26378   116.06721    -0.65551
   36    34 S   O2Z  _O32    31     1.26428   114.41291   179.40455
   37    33 S   CM   _C12    37     1.52667   106.88876    67.69110
   38    37 S   HC   _H12    38     1.09331   114.16471    25.45041
   39    33 S   CT   _C14    67     1.53328   107.76157   -57.24243
   40    39 S   HC   _H13    68     1.09652   112.09463   -47.65844
   41    39 S   HC   _H14    69     1.09242   111.88926  -166.69028
   42    39 S   HC   _H15    70     1.09247   112.00523    72.46507
   43    33 S   CT   _C15    71     1.54736   107.27593  -176.95869
   44    43 S   HC   _H16    72     1.09844   111.02898   -63.50198
   45    43 S   HC   _H17    73     1.09650   110.10314   178.70442
   46    37 S   CM   _C11    39     1.34542   132.71087  -157.56763
   47    46 S   HC   _H11    40     1.09115   114.38432  -178.03188
   48    43 S   CO4  _C16    74     1.51231   115.15485    59.32604
   49    48 S   O    _O34    75     1.22746   123.22369  -123.88305
   50    48 S   HC   _H18    76     1.10249   116.21645    58.83171
   51    46 S   C3T  _C10    41     1.48559   132.64051    -1.71783
   52    51 S   CT   _C9_    42     1.54999   117.16308   113.48623
   53    51 S   O3T  _O33    52     1.43382   121.59355   -35.53849
   54    52 S   CT   _C8_    43     1.55019   111.43102   168.51417
   55    54 S   HC   _H9_    44     1.09862   110.37810  -175.29110
   56    54 S   HC   _H10    45     1.09937   110.46319    69.25901
   57    52 S   CT   _C17    59     1.54792   110.59352    47.37468
   58    57 S   HC   _H19    60     1.09615   111.52170   -69.05151
   59    57 S   HC   _H20    61     1.09593   111.25566   171.62853
   60    57 S   HC   _H21    62     1.09502   111.82109    50.66758
   61    52 S   CT   _C18    63     1.53906   110.78101   -71.97645
   62    61 S   HC   _H22    64     1.09492   111.46225    62.06785
   63    61 S   HC   _H23    65     1.09507   111.18052   -58.54480
   64    61 S   HC   _H24    66     1.09620   111.18248  -178.36111
   65    54 S   CT   _C7_    46     1.52470   112.70955   -52.81906
   66    65 S   HC   _H3_    47     1.09458   110.44620   -58.69345
   67    65 S   CT   _C6_    48     1.52221   111.45659    64.33775
   68    67 S   HC   _H7_    49     1.09860   110.02018    79.34281
   69    67 S   HC   _H8_    50     1.09788   108.09910  -166.62193
   70    65 S   OH   _O35    57     1.42661   108.18322  -175.69206
   71    70 S   HO   _H25    58     0.97252   107.55582   179.62102
   72    51 S   C3T  _C5_    51     1.55902   115.83215  -101.29129
   73    72 S   CT   _C4_    53     1.50380   122.04496    14.43776
   74    73 S   HC   _H4_    54     1.09253   113.26667    24.92168
   75    73 S   HC   _H5_    55     1.09479   109.84353   -95.73875
   76    73 S   HC   _H6_    56     1.09538   110.35141   145.11380
  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  12   5   4   3
  15   2   1   1  15   5   8   3   2   1   6   4   3  10   4   2
   1   1  22  18  12  18   7   6   9   3   2   1   5   2   1   1
   8   6   9   4   3   2   1   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    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    39    40    41    42    43    44    45    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    51    39    40    41    42    43    44    45    48    49    50  
   35    36  
   36  
    0  
   38    46    47    51    52    72    53    39    40    41    42    43    44    45    48  
   46    47    51    39    43  
   40    41    42    43    44    45    48    46  
   41    42    43  
   42    43  
   43  
   44    45    48    49    50    46  
   45    48    49    50  
   48    49    50  
   47    51    52    54    67    72    53    73    57    61  
   51    52    72    53  
   49    50  
   50  
    0  
   52    54    55    56    65    67    68    69    72    53    73    74    75    76    57    58    59    60    61    62    63    64  
   54    55    56    65    66    67    72    53    73    70    57    58    59    60    61    62    63    64  
   73    74    75    76    57    61    54    65    67    68    69    72  
   55    56    65    66    67    68    69    72    70    71    57    58    59    60    61    62    63    64  
   56    65    66    67    70    57    61  
   65    66    67    70    57    61  
   58    59    60    61    62    63    64    65    72  
   59    60    61  
   60    61  
   61  
   62    63    64    65    72  
   63    64  
   64  
    0  
   66    67    68    69    72    73    70    71  
   67    68    69    72    70    71  
   68    69    72    73    74    75    76    70    71  
   69    72    73    70  
   72    73    70  
   71    72  
    0  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   50   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   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   317.000  1.510
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    46   549.000  1.340
   46    47   340.000  1.080
   46    51   305.000  1.480
   51    52   275.000  1.510
   51    72   260.000  1.509
   51    53   335.000  1.432
   52    54   268.000  1.529
   52    57   268.000  1.529
   52    61   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    65   268.000  1.529
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    70   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   275.000  1.510
   72    53   335.000  1.432
   72    73   275.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   70    71   553.000  0.945
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.522
   48    49   570.000  1.229
   48    50   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  112.20000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    46    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    48    63.00000  111.10000
   37    46    47    35.00000  120.00000
   37    46    51    55.00000  125.06700
   46    37    38    35.00000  120.00000
   46    51    52    65.00000  117.55000
   46    51    72    60.00000  120.58800
   46    51    53    85.00000  114.23300
   51    46    47    40.00000  117.24000
   51    52    54    70.00000  112.37300
   51    52    57    70.00000  112.37300
   51    52    61    70.00000  112.37300
   51    72    67    60.00000  120.94000
   51    72    53    15.00000   60.43100
   51    72    73    60.00000  120.94000
   51    53    72    15.00000   59.14900
   52    54    55    37.50000  110.70000
   52    54    56    37.50000  110.70000
   52    54    65    58.35000  112.70000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    60    37.50000  110.70000
   52    61    62    37.50000  110.70000
   52    61    63    37.50000  110.70000
   52    61    64    37.50000  110.70000
   54    65    66    37.50000  110.70000
   54    65    67    58.35000  112.70000
   54    65    70    50.00000  109.50000
   56    54    55    33.00000  107.80000
   65    54    55    37.50000  110.70000
   65    54    56    37.50000  110.70000
   65    67    68    37.50000  110.70000
   65    67    69    37.50000  110.70000
   65    67    72    70.00000  112.37300
   65    70    71    55.00000  108.50000
   67    65    66    37.50000  110.70000
   67    72    53    80.00000  116.47100
   67    72    73    58.35000  112.70000
   69    67    68    33.00000  107.80000
   72    51    52    60.00000  120.94000
   72    67    68    45.00000  109.38400
   72    67    69    45.00000  109.38400
   72    73    74    45.00000  109.38400
   72    73    75    45.00000  109.38400
   72    73    76    45.00000  109.38400
   53    51    52    80.00000  116.47100
   53    51    72    15.00000   60.43100
   73    72    53    80.00000  116.47100
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   70    65    66    35.00000  109.50000
   70    65    67    50.00000  109.50000
   57    52    54    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    52    54    58.35000  112.70000
   61    52    57    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   43    48    49    80.00000  120.40000
   43    48    50    35.00000  115.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   50    48    49    35.00000  123.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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   0.00000  1.0 1.0
   29    33    37    46   0.42700  1.0 1.0
   29    33    37    46  -0.70350 -1.0 2.0
   29    33    37    46  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    48   0.56750  1.0 1.0
   29    33    43    48  -0.07550 -1.0 2.0
   29    33    43    48   0.20000  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    51   7.00000 -1.0 2.0
   33    43    48    49   0.30150 -1.0 2.0
   33    43    48    50   0.74550  1.0 1.0
   33    43    48    50  -0.00500 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    48  -0.98800  1.0 1.0
   37    33    43    48   0.48800 -1.0 2.0
   37    33    43    48   0.76800  1.0 3.0
   37    46    51    52   0.09850  1.0 1.0
   37    46    51    52   0.15250 -1.0 2.0
   37    46    51    52  -0.50650  1.0 3.0
   37    46    51    72   0.09850  1.0 1.0
   37    46    51    72   0.15250 -1.0 2.0
   37    46    51    72  -0.50650  1.0 3.0
   37    46    51    53   0.39000  1.0 1.0
   37    46    51    53  -0.05800 -1.0 2.0
   37    46    51    53  -0.55150  1.0 3.0
   38    37    46    47   7.00000 -1.0 2.0
   38    37    46    51   7.00000 -1.0 2.0
   46    51    52    54   0.34400  1.0 1.0
   46    51    52    54   0.09450 -1.0 2.0
   46    51    52    54   0.11100  1.0 3.0
   46    51    52    57   0.34400  1.0 1.0
   46    51    52    57   0.09450 -1.0 2.0
   46    51    52    57   0.11100  1.0 3.0
   46    51    52    61   0.34400  1.0 1.0
   46    51    52    61   0.09450 -1.0 2.0
   46    51    52    61   0.11100  1.0 3.0
   46    51    72    67   0.34400  1.0 1.0
   46    51    72    67   0.09450 -1.0 2.0
   46    51    72    67   0.11100  1.0 3.0
   46    51   -72    53   0.61850  1.0 1.0
   46    51   -72    53  -0.22750 -1.0 2.0
   46    51   -72    53   0.15300  1.0 3.0
   46    51    72    73   0.34400  1.0 1.0
   46    51    72    73   0.09450 -1.0 2.0
   46    51    72    73   0.11100  1.0 3.0
   46    51   -53    72  -0.77900  1.0 1.0
   46    51   -53    72  -0.36900 -1.0 2.0
   46    51   -53    72   0.40400  1.0 3.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    72   0.00000  1.0 1.0
   47    46    51    53   0.00000  1.0 1.0
   51    52    54    55   0.15000  1.0 3.0
   51    52    54    56   0.15000  1.0 3.0
   51    52    54    65   0.47050  1.0 1.0
   51    52    54    65   0.03900 -1.0 2.0
   51    52    54    65   0.20100  1.0 3.0
   51    52    57    58   0.15000  1.0 3.0
   51    52    57    59   0.15000  1.0 3.0
   51    52    57    60   0.15000  1.0 3.0
   51    52    61    62   0.15000  1.0 3.0
   51    52    61    63   0.15000  1.0 3.0
   51    52    61    64   0.15000  1.0 3.0
   51    72    73    74   0.15000  1.0 3.0
   51    72    73    75   0.15000  1.0 3.0
   51    72    73    76   0.15000  1.0 3.0
   52    51    72    67   0.56750  1.0 1.0
   52    51    72    67  -0.07550 -1.0 2.0
   52    51    72    67   0.20000  1.0 3.0
   52    51   -72    53   0.02550  1.0 1.0
   52    51   -72    53  -0.02600 -1.0 2.0
   52    51   -72    53   1.20400  1.0 3.0
   52    51    72    73   0.56750  1.0 1.0
   52    51    72    73  -0.07550 -1.0 2.0
   52    51    72    73   0.20000  1.0 3.0
   52    51   -53    72   0.06250  1.0 1.0
   52    51   -53    72  -0.01100 -1.0 2.0
   52    51   -53    72   0.28050  1.0 3.0
   52    54    65    66   0.15000  1.0 3.0
   52    54   -65    67   0.56750  1.0 1.0
   52    54   -65    67  -0.07550 -1.0 2.0
   52    54   -65    67   0.20000  1.0 3.0
   52    54    65    70   0.86500  1.0 1.0
   52    54    65    70  -0.17500 -1.0 2.0
   52    54    65    70   0.20800  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    59   0.15000  1.0 3.0
   54    52    57    60   0.15000  1.0 3.0
   54    52    61    62   0.15000  1.0 3.0
   54    52    61    63   0.15000  1.0 3.0
   54    52    61    64   0.15000  1.0 3.0
   54    65    67    68   0.15000  1.0 3.0
   54    65    67    69   0.15000  1.0 3.0
   54    65    67    72   0.47050  1.0 1.0
   54    65    67    72   0.03900 -1.0 2.0
   54    65    67    72   0.20100  1.0 3.0
   54    65    70    71  -0.11600  1.0 1.0
   54    65    70    71  -0.09450 -1.0 2.0
   54    65    70    71   0.21250  1.0 3.0
   55    54    65    66   0.15000  1.0 3.0
   55    54    65    67   0.15000  1.0 3.0
   55    54    65    70   0.23400  1.0 3.0
   56    54    65    66   0.15000  1.0 3.0
   56    54    65    67   0.15000  1.0 3.0
   56    54    65    70   0.23400  1.0 3.0
   65    67   -72    51   0.07850  1.0 1.0
   65    67   -72    51  -0.03950 -1.0 2.0
   65    67   -72    51   0.67350  1.0 3.0
   65    67    72    53   0.02550  1.0 1.0
   65    67    72    53  -0.02600 -1.0 2.0
   65    67    72    53   1.20400  1.0 3.0
   65    67    72    73   0.56750  1.0 1.0
   65    67    72    73  -0.07550 -1.0 2.0
   65    67    72    73   0.20000  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    72   0.15000  1.0 3.0
   66    65    70    71   0.19450  1.0 3.0
   67    65    70    71  -0.11600  1.0 1.0
   67    65    70    71  -0.09450 -1.0 2.0
   67    65    70    71   0.21250  1.0 3.0
   67    72   -53    51   0.06250  1.0 1.0
   67    72   -53    51  -0.01100 -1.0 2.0
   67    72   -53    51   0.28050  1.0 3.0
   67    72    73    74   0.15000  1.0 3.0
   67    72    73    75   0.15000  1.0 3.0
   67    72    73    76   0.15000  1.0 3.0
   68    67    72    51   0.15000  1.0 3.0
   68    67    72    53   0.23400  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   69    67    72    51   0.15000  1.0 3.0
   69    67    72    53   0.23400  1.0 3.0
   69    67    72    73   0.15000  1.0 3.0
   72    51   -52    54   0.07850  1.0 1.0
   72    51   -52    54  -0.03950 -1.0 2.0
   72    51   -52    54   0.67350  1.0 3.0
   72    51    52    57   0.07850  1.0 1.0
   72    51    52    57  -0.03950 -1.0 2.0
   72    51    52    57   0.67350  1.0 3.0
   72    51    52    61   0.07850  1.0 1.0
   72    51    52    61  -0.03950 -1.0 2.0
   72    51    52    61   0.67350  1.0 3.0
   53    51    52    54   0.02550  1.0 1.0
   53    51    52    54  -0.02600 -1.0 2.0
   53    51    52    54   1.20400  1.0 3.0
   53    51    52    57   0.02550  1.0 1.0
   53    51    52    57  -0.02600 -1.0 2.0
   53    51    52    57   1.20400  1.0 3.0
   53    51    52    61   0.02550  1.0 1.0
   53    51    52    61  -0.02600 -1.0 2.0
   53    51    52    61   1.20400  1.0 3.0
   53    51   -72    67   0.02550  1.0 1.0
   53    51   -72    67  -0.02600 -1.0 2.0
   53    51   -72    67   1.20400  1.0 3.0
   53    51   -72    73   0.02550  1.0 1.0
   53    51   -72    73  -0.02600 -1.0 2.0
   53    51   -72    73   1.20400  1.0 3.0
   53    72    73    74   0.23400  1.0 3.0
   53    72    73    75   0.23400  1.0 3.0
   53    72    73    76   0.23400  1.0 3.0
   73    72   -53    51   0.06250  1.0 1.0
   73    72   -53    51  -0.01100 -1.0 2.0
   73    72   -53    51   0.28050  1.0 3.0
   70    65    67    68   0.23400  1.0 3.0
   70    65    67    69   0.23400  1.0 3.0
   70    65    67    72   0.86500  1.0 1.0
   70    65    67    72  -0.17500 -1.0 2.0
   70    65    67    72   0.20800  1.0 3.0
   57    52    54    55   0.15000  1.0 3.0
   57    52    54    56   0.15000  1.0 3.0
   57    52    54    65   0.56750  1.0 1.0
   57    52    54    65  -0.07550 -1.0 2.0
   57    52    54    65   0.20000  1.0 3.0
   57    52    61    62   0.15000  1.0 3.0
   57    52    61    63   0.15000  1.0 3.0
   57    52    61    64   0.15000  1.0 3.0
   61    52    54    55   0.15000  1.0 3.0
   61    52    54    56   0.15000  1.0 3.0
   61    52    54    65   0.56750  1.0 1.0
   61    52    54    65  -0.07550 -1.0 2.0
   61    52    54    65   0.20000  1.0 3.0
   61    52    57    58   0.15000  1.0 3.0
   61    52    57    59   0.15000  1.0 3.0
   61    52    57    60   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    46   0.09850  1.0 1.0
   39    33    37    46   0.15250 -1.0 2.0
   39    33    37    46  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    48  -0.95700  1.0 1.0
   39    33    43    48  -0.18200 -1.0 2.0
   39    33    43    48   0.29450  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    46   0.09850  1.0 1.0
   43    33    37    46   0.15250 -1.0 2.0
   43    33    37    46  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.00000  1.0 1.0
   45    43    48    49   0.00000  1.0 1.0
   45    43    48    50   0.00000  1.0 1.0
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
   33    38    37    46  15.00000 -1.0 2.0
   51    47    46    37  15.00000 -1.0 2.0
   43    50    48    49  10.50000 -1.0 2.0
END
