* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    143    228     416
    1     0 S   NP   _N1_     1    29.31657    94.58402   -24.27901
    2     1 S   H    _HN1     2     1.02951    83.82405     5.59181
    3     1 S   H    _H1_     3     1.02827    24.46385   167.60944
    4     1 S   H    _H2_     4     1.02784   109.43421  -101.73520
    5     1 S   CT   _CA1     5     1.50114   127.96323   116.70374
    6     5 S   HC   _HA1     6     1.09573   105.20065    79.31592
    7     5 S   CO3  _C1_     7     1.53788   112.44157   -40.92468
    8     7 S   O2Z  _O11     8     1.26372   115.00312   -42.73144
    9     7 S   O2Z  _O12     9     1.26240   114.94148   136.37838
   10     5 S   CT   _CB1    10     1.53069   107.41465  -162.70337
   11    10 S   HC   HB11    11     1.09832   109.37095   -49.68449
   12    10 S   HC   HB12    12     1.09819   110.45240    66.91881
   13    10 S   CT   _CG1    13     1.52991   112.61501  -170.67216
   14    13 S   HC   HG11    14     1.09583   110.59888   -65.21759
   15    13 S   HC   HG12    15     1.09664   109.85214    54.05722
   16    13 S   C    _CD1    16     1.51760   112.18790   174.47256
   17    16 S   O    _OE1    17     1.22726   123.27217     4.94451
   18    16 S   N    _N2_    18     1.38657   111.71735  -175.10527
   19    18 S   H    _HN2    19     1.01585   118.97896     2.06270
   20    18 S   CT1  _CA2    20     1.46063   123.33380   178.41341
   21    20 S   HC   _HA2    21     1.09571   109.29431     3.33630
   22    20 S   C    _C2_    22     1.53568   109.20238  -111.78425
   23    22 S   O    _O2_    23     1.23081   122.08615  -150.84847
   24    20 S   CT   _CB2    32     1.53339   111.65575   125.70279
   25    24 S   HC   HB21    33     1.09683   109.37911    63.24944
   26    24 S   HC   HB22    34     1.09494   111.08656   179.94405
   27    22 S   N    _N3_    24     1.38269   113.87698    36.67286
   28    27 S   H    _HN3    25     1.01579   119.58698    -3.36138
   29    24 S   S    _SG2    35     1.83001   115.05919   -56.11178
   30    27 S   CT   _CA3    26     1.45287   123.22525   177.03601
   31    30 S   HC   HA31    27     1.09548   107.51939   -64.54651
   32    30 S   HC   HA32    28     1.09557   107.97775    51.89436
   33    29 S   CT   _C11    36     1.84340   101.35315   -61.23970
   34    33 S   HC   _H7_    37     1.09072   106.76612    60.34806
   35    30 S   CO3  _C3_    29     1.52961   114.07323   173.91243
   36    35 S   O2Z  _O31    30     1.26375   116.06155     0.15066
   37    35 S   O2Z  _O32    31     1.26427   114.41727  -179.78971
   38    33 S   CT   _C12    38     1.55908   113.68147   -59.96470
   39    38 S   HC   _H8_    39     1.09549   110.28132    71.91188
   40    33 S   C3T  _C10    58     1.51532   106.63102   177.18728
   41    40 S   HC   _H6_    59     1.08435   112.76983    69.37007
   42    38 S   CM   _C13    40     1.49277   109.58332  -166.89156
   43    69 S   O3T  _O33    60     1.44722   114.01262   122.40881
   44    38 S   OH   _O36    72     1.42898   110.13455   -46.35946
   45    44 S   HO   _H16    73     0.97281   107.51906   173.04382
   46    42 S   CM   _C14    41     1.33233   129.57284   100.75521
   47    46 S   HC   _H15    42     1.08135   124.60428     7.46282
   48    46 S   CT   _C15    43     1.47710   110.98955  -161.64834
   49    48 S   HC   _H9_    44     1.09533   109.88411  -119.83541
   50    48 S   CT   _C6_    45     1.55333   115.60245   113.38181
   51    50 S   HC   _H4_    46     1.09938   109.22737  -138.53088
   52    48 S   OS   _O34    69     1.43660   103.39429    -6.73010
   53    50 S   CT   _C5_    47     1.53635   109.97039   102.25233
   54    53 S   HC   _H3_    48     1.09696   111.10423   -42.74145
   55    42 S   CO4  _C16    70     1.46594   123.23967   -68.72611
   56    55 S   O    _O35    71     1.21824   125.60678   -14.92410
   57    53 S   CO4  _C18    49     1.50149   103.01853  -157.39614
   58    57 S   O    _O38    50     1.22090   126.14787  -161.56192
   59    53 S   CT   _C4_    65     1.52165   112.98100    82.08815
   60    59 S   HC   _H10    66     1.09573   111.40175    59.79487
   61    59 S   HC   _H11    67     1.09403   111.41434   -61.14914
   62    59 S   HC   _H12    68     1.09547   110.60315   178.91466
   63    57 S   OS   _O37    51     1.36062   109.50658    20.13161
   64    50 S   CT   _C7_    52     1.54439   118.86360   -13.66070
   65    64 S   HC   _H5_    53     1.09416   112.55194    38.31547
   66    64 S   CT   _C8_    54     1.53625   118.17740   -91.82542
   67    66 S   HC   _H13    55     1.09938   108.06995  -165.59660
   68    66 S   HC   _H14    56     1.09841   108.96496   -53.23971
   69    66 S   C3T  _C9_    57     1.50833   116.03056    71.84476
   70    69 S   CT   _C17    61     1.50541   114.64748  -111.00964
   71    70 S   HC   _H17    62     1.09108   113.45901   173.72118
   72    70 S   HC   _H18    63     1.09325   110.93119    51.65150
   73    70 S   HC   _H19    64     1.09612   109.74120   -66.55277
  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
  14   8   2   1   1  14   6  13   4  10   9   3   1  10   5  14
   6  18   9   4  11   8   1   1   9   3   5   2   1   1   6   6
   4   7   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    69    40    41    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    46    66    69    40    41    43    70    55    44    45  
   38    39    42    69    40    41    43    44  
   36    37  
   37  
    0  
   39    42    46    47    48    69    40    41    43    52    55    56    44    45  
   42    46    40    55    44    45  
   41    43    70    71    72    73    44    42    64    66    67    68    69  
   43    70    66    69  
   46    47    48    49    50    52    55    56    44    45  
   70    71    72    73    64    66    67    68    69  
   45    46    55  
    0  
   47    48    49    50    51    53    64    52    55    56  
   48    49    50    52    55  
   49    50    51    53    54    57    63    64    65    66    59    52    55    56  
   50    51    53    64    52    55  
   51    53    54    57    58    63    64    65    66    67    68    69    59    60    61    62    52    55  
   53    54    57    63    64    65    66    59    52  
   55    56    53    64  
   54    57    58    63    64    65    66    59    60    61    62  
   57    58    63    64    59    60    61    62  
   56  
    0  
   58    63    64    65    66    59    60    61    62  
   63    64    59  
   60    61    62    63    64  
   61    62  
   62  
    0  
   64    65    66    67    68    69  
   65    66    67    68    69    70  
   66    67    68    69  
   67    68    69    70    71    72    73  
   68    69    70  
   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   0.107500   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.176200   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    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    40   275.000  1.510
   38    39   340.000  1.090
   38    42   317.000  1.510
   38    44   320.000  1.410
   42    46   549.000  1.340
   42    55   320.000  1.462
   46    47   340.000  1.080
   46    48   317.000  1.510
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    52   320.000  1.410
   50    51   340.000  1.090
   50    53   268.000  1.529
   50    64   268.000  1.529
   53    54   340.000  1.090
   53    57   317.000  1.522
   53    59   268.000  1.529
   57    58   570.000  1.229
   57    63   214.000  1.327
   63    64   320.000  1.410
   64    65   340.000  1.090
   64    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   275.000  1.510
   69    40   260.000  1.509
   69    43   335.000  1.432
   69    70   275.000  1.510
   40    41   340.000  1.088
   40    43   335.000  1.432
   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
   52    55   214.000  1.327
   55    56   570.000  1.229
   44    45   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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    70.00000  112.02700
   33    38    44    50.00000  109.50000
   33    40    69    60.00000  120.94000
   33    40    41    40.00000  115.04500
   33    40    43    80.00000  116.47100
   38    33    34    37.50000  110.70000
   38    42    46    70.00000  124.00000
   38    42    55    65.00000  116.34900
   38    44    45    55.00000  108.50000
   42    38    39    35.00000  109.50000
   42    46    47    35.00000  120.00000
   42    46    48    70.00000  124.00000
   42    55    52    90.00000  111.29400
   42    55    56    80.00000  123.72100
   46    48    49    35.00000  109.50000
   46    48    50    70.00000  112.02700
   46    48    52    85.00000  110.90400
   48    46    47    35.00000  117.00000
   48    50    51    37.50000  110.70000
   48    50    53    58.35000  112.70000
   48    50    64    58.35000  112.70000
   48    52    55    83.00000  116.90000
   50    48    49    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    57    63.00000  111.10000
   50    53    59    58.35000  112.70000
   50    64    63    50.00000  109.50000
   50    64    65    37.50000  110.70000
   50    64    66    58.35000  112.70000
   53    50    51    37.50000  110.70000
   53    57    58    80.00000  120.40000
   53    57    63    81.00000  111.40000
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    59    62    37.50000  110.70000
   57    53    54    35.00000  109.50000
   57    63    64    83.00000  116.90000
   63    57    58    83.00000  123.40000
   63    64    65    35.00000  109.50000
   63    64    66    50.00000  109.50000
   64    50    51    37.50000  110.70000
   64    50    53    58.35000  112.70000
   64    66    67    37.50000  110.70000
   64    66    68    37.50000  110.70000
   64    66    69    70.00000  112.37300
   66    64    65    37.50000  110.70000
   66    69    40    60.00000  120.94000
   66    69    43    80.00000  116.47100
   66    69    70    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    45.00000  109.38400
   69    66    68    45.00000  109.38400
   69    40    41    37.50000  117.20000
   69    40    43    15.00000   60.43100
   69    43    40    15.00000   59.14900
   69    70    71    45.00000  109.38400
   69    70    72    45.00000  109.38400
   69    70    73    45.00000  109.38400
   40    33    34    45.00000  109.38400
   40    33    38    70.00000  112.37300
   43    69    40    15.00000   60.43100
   43    40    41    50.00000  114.27700
   70    69    40    60.00000  120.94000
   70    69    43    80.00000  116.47100
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   59    53    54    37.50000  110.70000
   59    53    57    63.00000  111.10000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   52    48    49    35.00000  109.50000
   52    48    50    50.00000  109.50000
   52    55    56    83.00000  123.40000
   55    42    46    65.00000  118.96000
   44    38    39    35.00000  109.50000
   44    38    42    90.00000  110.39200
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   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    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    40    69   0.44750  1.0 1.0
   29    33    40    69  -0.17800 -1.0 2.0
   29    33    40    69   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   33    38    42    46   0.09850  1.0 1.0
   33    38    42    46   0.15250 -1.0 2.0
   33    38    42    46  -0.50650  1.0 3.0
   33    38    42    55   0.09700  1.0 1.0
   33    38    42    55   0.15600 -1.0 2.0
   33    38    42    55  -0.50800  1.0 3.0
   33    38    44    45  -0.11600  1.0 1.0
   33    38    44    45  -0.09450 -1.0 2.0
   33    38    44    45   0.21250  1.0 3.0
   33    40   -43    69   0.06250  1.0 1.0
   33    40   -43    69  -0.01100 -1.0 2.0
   33    40   -43    69   0.28050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    44   0.23400  1.0 3.0
   34    33    40    69   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    43   0.23400  1.0 3.0
   38    33    40    69   0.07850  1.0 1.0
   38    33    40    69  -0.03950 -1.0 2.0
   38    33    40    69   0.67350  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    43   0.02550  1.0 1.0
   38    33    40    43  -0.02600 -1.0 2.0
   38    33    40    43   1.20400  1.0 3.0
   38    42    46    47   7.00000 -1.0 2.0
   38    42    46    48   7.00000 -1.0 2.0
   38    42    55    52  -0.15000  1.0 1.0
   38    42    55    52   0.89550 -1.0 2.0
   38    42    55    52  -0.06900  1.0 3.0
   38    42    55    56  -0.64400  1.0 1.0
   38    42    55    56   0.26850 -1.0 2.0
   39    38    42    46   0.00000  1.0 1.0
   39    38    42    55   0.15000  1.0 3.0
   39    38    44    45   0.19450  1.0 3.0
   42    38    44    45  -0.07800  1.0 1.0
   42    38    44    45  -0.21500 -1.0 2.0
   42    38    44    45  -0.03150  1.0 3.0
   42    46    48    49   0.00000  1.0 1.0
   42    46    48    50   0.09850  1.0 1.0
   42    46    48    50   0.15250 -1.0 2.0
   42    46    48    50  -0.50650  1.0 3.0
   42    46   -48    52   0.39000  1.0 1.0
   42    46   -48    52  -0.05800 -1.0 2.0
   42    46   -48    52  -0.55150  1.0 3.0
   46    42   -55    52  -0.56150  1.0 1.0
   46    42   -55    52   2.19150 -1.0 2.0
   46    42    55    56   1.00000 -1.0 2.0
   46    48    50    51   0.15000  1.0 3.0
   46    48    50    53   0.34400  1.0 1.0
   46    48    50    53   0.09450 -1.0 2.0
   46    48    50    53   0.11100  1.0 3.0
   46    48    50    64   0.34400  1.0 1.0
   46    48    50    64   0.09450 -1.0 2.0
   46    48    50    64   0.11100  1.0 3.0
   46    48   -52    55  -0.82050  1.0 1.0
   46    48   -52    55   0.00600 -1.0 2.0
   46    48   -52    55   0.04400  1.0 3.0
   47    46    48    49   0.33100  1.0 3.0
   47    46    48    50   0.00000  1.0 1.0
   47    46    48    52   0.00000  1.0 1.0
   48    50    53    54   0.15000  1.0 3.0
   48    50    53    57  -0.95700  1.0 1.0
   48    50    53    57  -0.18200 -1.0 2.0
   48    50    53    57   0.29450  1.0 3.0
   48    50    53    59   0.56750  1.0 1.0
   48    50    53    59  -0.07550 -1.0 2.0
   48    50    53    59   0.20000  1.0 3.0
   48    50    64    63   0.62750  1.0 1.0
   48    50    64    63  -0.30950 -1.0 2.0
   48    50    64    63   0.27300  1.0 3.0
   48    50    64    65   0.15000  1.0 3.0
   48    50    64    66   0.56750  1.0 1.0
   48    50    64    66  -0.07550 -1.0 2.0
   48    50    64    66   0.20000  1.0 3.0
   48    52   -55    42   2.00000 -1.0 2.0
   48    52    55    56   3.00000 -1.0 2.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    53   0.15000  1.0 3.0
   49    48    50    64   0.15000  1.0 3.0
   49    48    52    55   0.08050  1.0 3.0
   50    48    52    55  -0.25900  1.0 1.0
   50    48    52    55  -0.47000 -1.0 2.0
   50    48    52    55   0.11750  1.0 3.0
   50    53    57    58   0.30150 -1.0 2.0
   50    53   -57    63   0.36750  1.0 3.0
   50    53    59    60   0.15000  1.0 3.0
   50    53    59    61   0.15000  1.0 3.0
   50    53    59    62   0.15000  1.0 3.0
   50    64    66    67   0.15000  1.0 3.0
   50    64    66    68   0.15000  1.0 3.0
   50    64    66    69   0.47050  1.0 1.0
   50    64    66    69   0.03900 -1.0 2.0
   50    64    66    69   0.20100  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    57  -0.11250  1.0 3.0
   51    50    53    59   0.15000  1.0 3.0
   51    50    64    63   0.23400  1.0 3.0
   51    50    64    65   0.15000  1.0 3.0
   51    50    64    66   0.15000  1.0 3.0
   53    50   -64    63   0.62750  1.0 1.0
   53    50   -64    63  -0.30950 -1.0 2.0
   53    50   -64    63   0.27300  1.0 3.0
   53    50    64    65   0.15000  1.0 3.0
   53    50    64    66   0.56750  1.0 1.0
   53    50    64    66  -0.07550 -1.0 2.0
   53    50    64    66   0.20000  1.0 3.0
   53    57   -63    64   1.63150  1.0 1.0
   53    57   -63    64   2.92000 -1.0 2.0
   54    53    57    58   0.00000  1.0 1.0
   54    53    57    63   0.00000  1.0 1.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    61   0.15000  1.0 3.0
   54    53    59    62   0.15000  1.0 3.0
   57    53    59    60  -0.11250  1.0 3.0
   57    53    59    61  -0.11250  1.0 3.0
   57    53    59    62  -0.11250  1.0 3.0
   57    63   -64    50  -0.25900  1.0 1.0
   57    63   -64    50  -0.47000 -1.0 2.0
   57    63   -64    50   0.11750  1.0 3.0
   57    63    64    65   0.08050  1.0 3.0
   57    63    64    66  -0.25900  1.0 1.0
   57    63    64    66  -0.47000 -1.0 2.0
   57    63    64    66   0.11750  1.0 3.0
   58    57    63    64   3.00000 -1.0 2.0
   63    64    66    67   0.23400  1.0 3.0
   63    64    66    68   0.23400  1.0 3.0
   63    64    66    69  -0.26800  1.0 1.0
   63    64    66    69   0.69150 -1.0 2.0
   63    64    66    69  -0.48750  1.0 3.0
   64    50    53    54   0.15000  1.0 3.0
   64    50   -53    57  -0.95700  1.0 1.0
   64    50   -53    57  -0.18200 -1.0 2.0
   64    50   -53    57   0.29450  1.0 3.0
   64    50    53    59   0.56750  1.0 1.0
   64    50    53    59  -0.07550 -1.0 2.0
   64    50    53    59   0.20000  1.0 3.0
   64    66    69    40   0.07850  1.0 1.0
   64    66    69    40  -0.03950 -1.0 2.0
   64    66    69    40   0.67350  1.0 3.0
   64    66    69    43   0.02550  1.0 1.0
   64    66    69    43  -0.02600 -1.0 2.0
   64    66    69    43   1.20400  1.0 3.0
   64    66    69    70   0.56750  1.0 1.0
   64    66    69    70  -0.07550 -1.0 2.0
   64    66    69    70   0.20000  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    69   0.15000  1.0 3.0
   66    69    40    33   0.56750  1.0 1.0
   66    69    40    33  -0.07550 -1.0 2.0
   66    69    40    33   0.20000  1.0 3.0
   66    69    40    41   0.15000  1.0 3.0
   66    69   -40    43   0.02550  1.0 1.0
   66    69   -40    43  -0.02600 -1.0 2.0
   66    69   -40    43   1.20400  1.0 3.0
   66    69   -43    40   0.06250  1.0 1.0
   66    69   -43    40  -0.01100 -1.0 2.0
   66    69   -43    40   0.28050  1.0 3.0
   66    69    70    71   0.15000  1.0 3.0
   66    69    70    72   0.15000  1.0 3.0
   66    69    70    73   0.15000  1.0 3.0
   67    66    69    40   0.15000  1.0 3.0
   67    66    69    43   0.23400  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   68    66    69    40   0.15000  1.0 3.0
   68    66    69    43   0.23400  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.34400  1.0 1.0
   40    33    38    42   0.09450 -1.0 2.0
   40    33    38    42   0.11100  1.0 3.0
   40    33    38    44   0.86500  1.0 1.0
   40    33    38    44  -0.17500 -1.0 2.0
   40    33    38    44   0.20800  1.0 3.0
   40    69    70    71   0.15000  1.0 3.0
   40    69    70    72   0.15000  1.0 3.0
   40    69    70    73   0.15000  1.0 3.0
   41    40   -43    69   0.36800  1.0 3.0
   43    69   -40    33   0.02550  1.0 1.0
   43    69   -40    33  -0.02600 -1.0 2.0
   43    69   -40    33   1.20400  1.0 3.0
   43    69   -40    41   0.23400  1.0 3.0
   43    69    70    71   0.23400  1.0 3.0
   43    69    70    72   0.23400  1.0 3.0
   43    69    70    73   0.23400  1.0 3.0
   70    69    40    33   0.56750  1.0 1.0
   70    69    40    33  -0.07550 -1.0 2.0
   70    69    40    33   0.20000  1.0 3.0
   70    69    40    41   0.15000  1.0 3.0
   70    69   -40    43   0.02550  1.0 1.0
   70    69   -40    43  -0.02600 -1.0 2.0
   70    69   -40    43   1.20400  1.0 3.0
   70    69   -43    40   0.06250  1.0 1.0
   70    69   -43    40  -0.01100 -1.0 2.0
   70    69   -43    40   0.28050  1.0 3.0
   59    53    57    58   0.30150 -1.0 2.0
   59    53    57    63   0.36750  1.0 3.0
   52    48    50    51   0.23400  1.0 3.0
   52    48    50    53   0.62750  1.0 1.0
   52    48    50    53  -0.30950 -1.0 2.0
   52    48    50    53   0.27300  1.0 3.0
   52    48    50    64   0.62750  1.0 1.0
   52    48    50    64  -0.30950 -1.0 2.0
   52    48    50    64   0.27300  1.0 3.0
   55    42    46    47   7.00000 -1.0 2.0
   55    42   -46    48   7.00000 -1.0 2.0
   44    38    42    46   0.67800  1.0 1.0
   44    38    42    46   0.47050 -1.0 2.0
   44    38    42    46  -0.62500  1.0 3.0
   44    38    42    55   0.09700  1.0 1.0
   44    38    42    55   0.15600 -1.0 2.0
   44    38    42    55  -0.50800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    55    42    46   1.10000 -1.0 2.0
   48    47    46    42   1.10000 -1.0 2.0
   53    63    57    58  10.50000 -1.0 2.0
   42    52    55    56  10.50000 -1.0 2.0
END
