* LIGAND DATABASE FILE (OPLS2005)
*
001      71    74    127    214     375
    1     0 S   NP   _N1_     1    28.77990    95.42136   -20.49771
    2     1 S   H    _HN1     2     1.02961    90.41578    38.07845
    3     1 S   H    _H1_     3     1.02838    36.14627   157.20696
    4     1 S   H    _H2_     4     1.02779    83.68728   -70.31536
    5     1 S   CT   _CA1     5     1.50125   146.53783   168.12104
    6     5 S   HC   _HA1     6     1.09575   105.22831    52.29325
    7     5 S   CO3  _C1_     7     1.53801   112.35301   -67.87371
    8     7 S   O2Z  _O11     8     1.26351   115.03937   -43.93275
    9     7 S   O2Z  _O12     9     1.26243   114.92099   135.23892
   10     5 S   CT   _CB1    10     1.53103   107.41694   170.16425
   11    10 S   HC   HB11    11     1.09817   109.33261   -50.62626
   12    10 S   HC   HB12    12     1.09823   110.40703    65.92454
   13    10 S   CT   _CG1    13     1.52997   112.68986  -171.79094
   14    13 S   HC   HG11    14     1.09508   110.28781   -62.14039
   15    13 S   HC   HG12    15     1.09635   110.13762    56.95414
   16    13 S   C    _CD1    16     1.51820   112.27049   177.09115
   17    16 S   O    _OE1    17     1.22735   123.15820   -11.33420
   18    16 S   N    _N2_    18     1.38587   111.69771   169.55074
   19    18 S   H    _HN2    19     1.01586   119.05325     0.45370
   20    18 S   CT1  _CA2    20     1.46251   123.51286  -179.18099
   21    20 S   HC   _HA2    21     1.09741   109.28485   -14.32998
   22    20 S   C    _C2_    22     1.53493   108.41244  -129.85351
   23    22 S   O    _O2_    23     1.23015   122.29582  -148.08032
   24    20 S   CT   _CB2    32     1.53620   111.44978   107.83543
   25    24 S   HC   HB21    33     1.09362   109.19340    54.07859
   26    24 S   HC   HB22    34     1.09423   109.79372   172.74710
   27    22 S   N    _N3_    24     1.38532   113.39343    39.53464
   28    27 S   H    _HN3    25     1.01520   118.86521    -0.71436
   29    24 S   S    _SG2    35     1.83335   111.13893   -67.89260
   30    27 S   CT   _CA3    26     1.45437   123.45569   175.01021
   31    30 S   HC   HA31    27     1.09523   109.23269    24.49121
   32    30 S   HC   HA32    28     1.09495   107.12167   141.50580
   33    29 S   CT   _C24    36     1.88024   102.98224   167.77202
   34    30 S   CO3  _C3_    29     1.52924   113.13046   -98.97628
   35    34 S   O2Z  _O31    30     1.26402   115.42200   -43.64939
   36    34 S   O2Z  _O32    31     1.26356   114.96950   137.29741
   37    33 S   CA   _C20    37     1.54697   112.20433   174.21548
   38    33 S   CA   _C21    48     1.51476   108.89100    48.18834
   39    33 S   CM   _C22    60     1.53968   110.58826   -60.32570
   40    37 S   CA   _C15    38     1.40927   122.17556    30.52154
   41    40 S   HA   _H35    39     1.08675   121.32007    -0.75433
   42    38 S   CA   _C17    49     1.39168   128.99321    63.73075
   43    42 S   HA   _H37    50     1.08504   121.13338    -0.07662
   44    39 S   CA   _C18    61     1.47518   121.48546   -66.10708
   45    40 S   CA   _C9_    40     1.39887   121.53376   177.98103
   46    45 S   HA   _H29    41     1.08642   119.77243   179.74056
   47    42 S   CA   _C11    51     1.39441   118.50005   179.91153
   48    47 S   HA   _H31    52     1.08650   119.84030   179.92867
   49    44 S   CA   _C12    62     1.40139   120.52958   -83.76797
   50    49 S   HA   _H32    63     1.08718   120.63414    -0.14537
   51    45 S   CA   _C5_    42     1.39002   120.25283    -0.87380
   52    51 S   HA   _H25    43     1.08572   120.19907  -179.79158
   53    47 S   CA   _C8_    53     1.40129   120.46171    -0.06256
   54    53 S   HA   _H28    54     1.08667   119.66393   179.96044
   55    49 S   CA   _C6_    64     1.39623   120.43846   179.93439
   56    55 S   HA   _H26    65     1.08609   119.91092  -179.43698
   57    51 S   CA   _C10    44     1.38976   119.58460    -0.61960
   58    57 S   HA   _H30    45     1.08633   120.01907  -178.86564
   59    53 S   CA   _C14    55     1.39794   120.67412    -0.02798
   60    59 S   HA   _H34    56     1.08566   119.78056   179.95577
   61    55 S   CA   _C4_    66     1.39330   120.08402     0.79229
   62    61 S   HA   _H24    67     1.08615   120.14527  -179.93744
   63    37 S   CA   _C16    46     1.41110   120.87244  -153.96632
   64    63 S   HA   _H36    47     1.08750   120.98667     1.12170
   65    38 S   CA   _C19    57     1.40255   109.54068  -116.47496
   66    61 S   CA   _C7_    68     1.39308   119.90584     0.53119
   67    66 S   HA   _H27    69     1.08618   119.90284   179.14111
   68    65 S   CMA  _C23    58     1.48929   111.41615     0.25869
   69    68 S   OM   _O22    59     1.26191   123.60005  -179.70195
   70    44 S   CA   _C13    70     1.40100   120.45390    98.12830
   71    70 S   HA   _H33    71     1.08627   120.61258     0.12195
  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
  19   2   1   1  15  14  14   8   4   8   4  12   6   3   6   3
   9   4   5   3   5   3   6   3   3   2   4   2   5   3   1   1
   2   3   2   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    63    38    42    65    68    39    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    45    57    63    64    38    42    43    47    59    65    68    69    39    44    49    70  
   35    36  
   36  
    0  
   40    41    45    46    51    57    58    63    64    38    42    65    68    39    44  
   42    43    47    48    53    59    60    65    68    69    39    44    40    63  
   44    49    50    55    66    70    71    40    42    59    63    65    68    69  
   41    45    46    51    52    57    63    64  
   45    46    51    63  
   43    47    48    53    54    59    65    68  
   47    48    53    65  
   49    50    55    56    61    66    67    70    71    65    68    69  
   46    51    52    57    58    63  
   51    52    57  
   48    53    54    59    60    65  
   53    54    59  
   50    55    56    61    62    66    70    71    68  
   55    56    61    70  
   52    57    58    63    64  
   57    58    63  
   54    59    60    65    68  
   59    60    65  
   56    61    62    66    67    70  
   61    62    66  
   58    63    64  
   63    64  
   60    65    68    69  
   65    68  
   62    66    67    70    71  
   66    67    70  
   64  
    0  
   68    69  
   67    70    71  
   70    71  
   69    70  
    0  
   71  
    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   0.397500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   69   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    38   317.000  1.510
   33    39   317.000  1.510
   37    40   469.000  1.400
   37    63   469.000  1.400
   40    41   367.000  1.080
   40    45   469.000  1.400
   45    46   367.000  1.080
   45    51   469.000  1.400
   51    52   367.000  1.080
   51    57   469.000  1.400
   57    58   367.000  1.080
   57    63   469.000  1.400
   63    64   367.000  1.080
   38    42   469.000  1.400
   38    65   469.000  1.400
   42    43   367.000  1.080
   42    47   469.000  1.400
   47    48   367.000  1.080
   47    53   469.000  1.400
   53    54   367.000  1.080
   53    59   469.000  1.400
   59    60   367.000  1.080
   59    65   469.000  1.400
   65    68   320.000  1.460
   68    69   745.000  1.250
   68    39   465.000  1.376
   39    44   320.000  1.460
   44    49   469.000  1.400
   44    70   469.000  1.400
   49    50   367.000  1.080
   49    55   469.000  1.400
   55    56   367.000  1.080
   55    61   469.000  1.400
   61    62   367.000  1.080
   61    66   469.000  1.400
   66    67   367.000  1.080
   66    70   469.000  1.400
   70    71   367.000  1.080
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    80.00000  109.48900
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    37    40    70.00000  120.00000
   33    37    63    70.00000  120.00000
   33    38    42    70.00000  120.00000
   33    38    65    70.00000  120.00000
   33    39    68    70.00000  124.00000
   33    39    44    60.00000  124.00000
   37    40    41    35.00000  120.00000
   37    40    45    63.00000  120.00000
   37    63    57    63.00000  120.00000
   37    63    64    35.00000  120.00000
   40    45    46    35.00000  120.00000
   40    45    51    63.00000  120.00000
   45    40    41    35.00000  120.00000
   45    51    52    35.00000  120.00000
   45    51    57    63.00000  120.00000
   51    45    46    35.00000  120.00000
   51    57    58    35.00000  120.00000
   51    57    63    63.00000  120.00000
   57    51    52    35.00000  120.00000
   57    63    64    35.00000  120.00000
   63    37    40    63.00000  120.00000
   63    57    58    35.00000  120.00000
   38    33    37    70.00000  112.04700
   38    42    43    35.00000  120.00000
   38    42    47    63.00000  120.00000
   38    65    59    63.00000  120.00000
   38    65    68    60.00000  120.93500
   42    47    48    35.00000  120.00000
   42    47    53    63.00000  120.00000
   47    42    43    35.00000  120.00000
   47    53    54    35.00000  120.00000
   47    53    59    63.00000  120.00000
   53    47    48    35.00000  120.00000
   53    59    60    35.00000  120.00000
   53    59    65    63.00000  120.00000
   59    53    54    35.00000  120.00000
   59    65    68    60.00000  120.93500
   65    38    42    63.00000  120.00000
   65    59    60    35.00000  120.00000
   65    68    69    85.00000  114.86500
   65    68    39    60.00000  123.20500
   68    39    44    60.00000  123.66000
   39    33    37    70.00000  112.99600
   39    33    38    70.00000  112.99600
   39    68    69    65.00000  137.10300
   39    44    49    60.00000  118.70000
   39    44    70    60.00000  118.70000
   44    49    50    35.00000  120.00000
   44    49    55    63.00000  120.00000
   44    70    66    63.00000  120.00000
   44    70    71    35.00000  120.00000
   49    55    56    35.00000  120.00000
   49    55    61    63.00000  120.00000
   55    49    50    35.00000  120.00000
   55    61    62    35.00000  120.00000
   55    61    66    63.00000  120.00000
   61    55    56    35.00000  120.00000
   61    66    67    35.00000  120.00000
   61    66    70    63.00000  120.00000
   66    61    62    35.00000  120.00000
   66    70    71    35.00000  120.00000
   70    44    49    63.00000  120.00000
   70    66    67    35.00000  120.00000
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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    63  -0.16000  1.0 1.0
   29    33    37    63  -0.03200 -1.0 2.0
   29    33    37    63   0.04500  1.0 3.0
   29    33    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    65  -0.16000  1.0 1.0
   29    33    38    65  -0.03200 -1.0 2.0
   29    33    38    65   0.04500  1.0 3.0
   29    33    39    68   0.42700  1.0 1.0
   29    33    39    68  -0.70350 -1.0 2.0
   29    33    39    68  -0.43150  1.0 3.0
   29    33    39    44   0.09700  1.0 1.0
   29    33    39    44   0.15600 -1.0 2.0
   29    33    39    44  -0.50800  1.0 3.0
   33    37    40    41   3.62500 -1.0 2.0
   33    37    40    45   3.62500 -1.0 2.0
   33    37    63    57   3.62500 -1.0 2.0
   33    37    63    64   3.62500 -1.0 2.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    47   3.62500 -1.0 2.0
   33    38    65    59   3.62500 -1.0 2.0
   33    38   -65    68   3.62500 -1.0 2.0
   33    39    44    49  -0.02500  1.0 1.0
   33    39    44    49  -0.32150 -1.0 2.0
   33    39    44    49  -0.01500  1.0 3.0
   33    39    44    70  -0.02500  1.0 1.0
   33    39    44    70  -0.32150 -1.0 2.0
   33    39    44    70  -0.01500  1.0 3.0
   37    33    38    42   0.04300 -1.0 2.0
   37    33    38    65   0.04300 -1.0 2.0
   37    33    39    68   1.44450  1.0 1.0
   37    33    39    68   0.06600 -1.0 2.0
   37    33    39    68   0.29250  1.0 3.0
   37    33    39    44   0.09700  1.0 1.0
   37    33    39    44   0.15600 -1.0 2.0
   37    33    39    44  -0.50800  1.0 3.0
   37    40    45    46   3.62500 -1.0 2.0
   37    40    45    51   3.62500 -1.0 2.0
   40    37    63    57   3.62500 -1.0 2.0
   40    37    63    64   3.62500 -1.0 2.0
   40    45    51    52   3.62500 -1.0 2.0
   40    45   -51    57   3.62500 -1.0 2.0
   41    40    45    46   3.62500 -1.0 2.0
   41    40    45    51   3.62500 -1.0 2.0
   45    51    57    58   3.62500 -1.0 2.0
   45    51    57    63   3.62500 -1.0 2.0
   46    45    51    52   3.62500 -1.0 2.0
   46    45    51    57   3.62500 -1.0 2.0
   51    57   -63    37   3.62500 -1.0 2.0
   51    57    63    64   3.62500 -1.0 2.0
   52    51    57    58   3.62500 -1.0 2.0
   52    51    57    63   3.62500 -1.0 2.0
   58    57    63    37   3.62500 -1.0 2.0
   58    57    63    64   3.62500 -1.0 2.0
   63    37    40    41   3.62500 -1.0 2.0
   63    37   -40    45   3.62500 -1.0 2.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    63   0.04300 -1.0 2.0
   38    33   -39    68   1.44450  1.0 1.0
   38    33   -39    68   0.06600 -1.0 2.0
   38    33   -39    68   0.29250  1.0 3.0
   38    33    39    44   0.09700  1.0 1.0
   38    33    39    44   0.15600 -1.0 2.0
   38    33    39    44  -0.50800  1.0 3.0
   38    42    47    48   3.62500 -1.0 2.0
   38    42    47    53   3.62500 -1.0 2.0
   38    65    68    69  -0.01750  1.0 1.0
   38    65    68    69  -0.32000 -1.0 2.0
   38    65    68    69   0.00600  1.0 3.0
   38    65   -68    39   0.15800  1.0 1.0
   38    65   -68    39   1.85350 -1.0 2.0
   38    65   -68    39  -0.48700  1.0 3.0
   42    38    65    59   3.62500 -1.0 2.0
   42    38    65    68   3.62500 -1.0 2.0
   42    47    53    54   3.62500 -1.0 2.0
   42    47   -53    59   3.62500 -1.0 2.0
   43    42    47    48   3.62500 -1.0 2.0
   43    42    47    53   3.62500 -1.0 2.0
   47    53    59    60   3.62500 -1.0 2.0
   47    53    59    65   3.62500 -1.0 2.0
   48    47    53    54   3.62500 -1.0 2.0
   48    47    53    59   3.62500 -1.0 2.0
   53    59   -65    38   3.62500 -1.0 2.0
   53    59    65    68   3.62500 -1.0 2.0
   54    53    59    60   3.62500 -1.0 2.0
   54    53    59    65   3.62500 -1.0 2.0
   59    65    68    69  -0.01750  1.0 1.0
   59    65    68    69  -0.32000 -1.0 2.0
   59    65    68    69   0.00600  1.0 3.0
   59    65    68    39   0.15800  1.0 1.0
   59    65    68    39   1.85350 -1.0 2.0
   59    65    68    39  -0.48700  1.0 3.0
   60    59    65    38   3.62500 -1.0 2.0
   60    59    65    68   3.62500 -1.0 2.0
   65    38    42    43   3.62500 -1.0 2.0
   65    38   -42    47   3.62500 -1.0 2.0
   65    68   -39    33   7.00000 -1.0 2.0
   65    68    39    44   7.00000 -1.0 2.0
   68    39    44    49   0.15800  1.0 1.0
   68    39    44    49   1.85350 -1.0 2.0
   68    39    44    49  -0.48700  1.0 3.0
   68    39    44    70   0.15800  1.0 1.0
   68    39    44    70   1.85350 -1.0 2.0
   68    39    44    70  -0.48700  1.0 3.0
   69    68    39    33   7.00000 -1.0 2.0
   69    68    39    44   7.00000 -1.0 2.0
   39    33    37    40   0.18050 -1.0 2.0
   39    33    37    63   0.18050 -1.0 2.0
   39    33    38    42   0.18050 -1.0 2.0
   39    33   -38    65   0.18050 -1.0 2.0
   39    44    49    50   3.62500 -1.0 2.0
   39    44    49    55   3.62500 -1.0 2.0
   39    44    70    66   3.62500 -1.0 2.0
   39    44    70    71   3.62500 -1.0 2.0
   44    49    55    56   3.62500 -1.0 2.0
   44    49    55    61   3.62500 -1.0 2.0
   49    44    70    66   3.62500 -1.0 2.0
   49    44    70    71   3.62500 -1.0 2.0
   49    55    61    62   3.62500 -1.0 2.0
   49    55   -61    66   3.62500 -1.0 2.0
   50    49    55    56   3.62500 -1.0 2.0
   50    49    55    61   3.62500 -1.0 2.0
   55    61    66    67   3.62500 -1.0 2.0
   55    61    66    70   3.62500 -1.0 2.0
   56    55    61    62   3.62500 -1.0 2.0
   56    55    61    66   3.62500 -1.0 2.0
   61    66   -70    44   3.62500 -1.0 2.0
   61    66    70    71   3.62500 -1.0 2.0
   62    61    66    67   3.62500 -1.0 2.0
   62    61    66    70   3.62500 -1.0 2.0
   67    66    70    44   3.62500 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   70    44    49    50   3.62500 -1.0 2.0
   70    44   -49    55   3.62500 -1.0 2.0
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
   36    30    34    35  10.50000 -1.0 2.0
   40    63    37    33   4.00000 -1.0 2.0
   45    41    40    37   1.10000 -1.0 2.0
   51    46    45    40   1.10000 -1.0 2.0
   57    52    51    45   1.10000 -1.0 2.0
   63    58    57    51   1.10000 -1.0 2.0
   57    64    63    37   1.10000 -1.0 2.0
   42    65    38    33   4.00000 -1.0 2.0
   47    43    42    38   1.10000 -1.0 2.0
   53    48    47    42   1.10000 -1.0 2.0
   59    54    53    47   1.10000 -1.0 2.0
   65    60    59    53   1.10000 -1.0 2.0
   59    68    65    38   4.00000 -1.0 2.0
   65    69    68    39   1.10000 -1.0 2.0
   33    44    39    68   1.10000 -1.0 2.0
   49    70    44    39   4.00000 -1.0 2.0
   55    50    49    44   1.10000 -1.0 2.0
   61    56    55    49   1.10000 -1.0 2.0
   66    62    61    55   1.10000 -1.0 2.0
   70    67    66    61   1.10000 -1.0 2.0
   66    71    70    44   1.10000 -1.0 2.0
END
