* LIGAND DATABASE FILE (OPLS2005)
*
001      66    69    131    217     391
    1     0 S   NP   _N1_     1    28.84848    95.05251   -24.75793
    2     1 S   H    _HN1     2     1.02792   114.33112   -96.27503
    3     1 S   H    _H1_     3     1.02948    79.68731     9.33593
    4     1 S   H    _H2_     4     1.02828    27.66412  -178.41107
    5     1 S   CT   _CA1     5     1.50116   125.70715   117.15589
    6     5 S   HC   _HA1     6     1.09574   105.18283    85.89074
    7     5 S   CO3  _C1_     7     1.53771   112.42591   -34.33968
    8     7 S   O2Z  _O11     8     1.26372   115.01235   -43.71672
    9     7 S   O2Z  _O12     9     1.26234   114.93338   135.33391
   10     5 S   CT   _CB1    10     1.53064   107.40926  -156.15764
   11    10 S   HC   HB11    11     1.09839   109.34037   -49.68308
   12    10 S   HC   HB12    12     1.09811   110.47330    66.90697
   13    10 S   CT   _CG1    13     1.53014   112.63081  -170.63460
   14    13 S   HC   HG11    14     1.09575   110.69351   -66.49445
   15    13 S   HC   HG12    15     1.09669   109.73965    52.75734
   16    13 S   C    _CD1    16     1.51808   112.05983   173.21592
   17    16 S   O    _OE1    17     1.22752   123.21117     9.97263
   18    16 S   N    _N2_    18     1.38648   111.79528  -170.04073
   19    18 S   H    _HN2    19     1.01583   119.00141     1.23986
   20    18 S   CT1  _CA2    20     1.46223   123.36532   177.05071
   21    20 S   HC   _HA2    21     1.09742   109.27659     6.56623
   22    20 S   C    _C2_    22     1.53664   108.88044  -108.92687
   23    22 S   O    _O2_    23     1.23081   122.23071  -149.13665
   24    20 S   CT   _CB2    32     1.53484   111.66484   128.49945
   25    24 S   HC   HB21    33     1.09507   109.55632    56.85930
   26    24 S   HC   HB22    34     1.09348   109.67371   175.61541
   27    22 S   N    _N3_    24     1.38310   113.86314    38.38564
   28    27 S   H    _HN3    25     1.01552   119.60793    -3.29942
   29    24 S   S    _SG2    35     1.83146   111.11440   -63.90644
   30    27 S   CT   _CA3    26     1.45286   123.27335   177.16089
   31    30 S   HC   HA31    27     1.09548   107.51000   -64.81724
   32    30 S   HC   HA32    28     1.09556   107.99877    51.64040
   33    29 S   CT   _C15    36     1.86025   102.03679  -174.17900
   34    30 S   CO3  _C3_    29     1.52973   114.04194   173.63912
   35    34 S   O2Z  _O31    30     1.26382   116.06573    -0.54249
   36    34 S   O2Z  _O32    31     1.26422   114.42187   179.52112
   37    33 S   CM   _C5_    37     1.51368   108.97792    71.73629
   38    37 S   HC   _H19    38     1.08539   119.93434   -57.04431
   39    33 S   CM   _C6_    65     1.49144   108.72931   -55.86749
   40    39 S   HC   _H20    66     1.08305   123.80425    79.42152
   41    37 S   CM   _C4_    39     1.34617   121.07978   120.10732
   42    41 S   HC   _H18    40     1.08505   120.41924  -176.72840
   43    41 S   CT   _C13    41     1.51381   120.83286     6.35496
   44    43 S   HC   _H31    42     1.09564   109.46424   156.95466
   45    43 S   CT   _C11    43     1.51986   107.63654    35.23849
   46    45 S   HC   _H27    44     1.09695   113.53287    50.42074
   47    45 S   HC   _H28    45     1.09712   112.52154   171.02342
   48    33 S   CT   _C16    46     1.56070   113.65399  -162.62471
   49    48 S   CT   _C14    47     1.54984   115.69995   -47.21876
   50    49 S   HC   _H32    48     1.09327   111.92432    34.14350
   51    48 S   OS   _O16    62     1.42981   106.37751    83.43207
   52    49 S   CT   _C10    49     1.53813   113.60964   154.09930
   53    52 S   HC   _H25    50     1.09676   110.88295    51.90079
   54    52 S   HC   _H26    51     1.09651   110.24000   -65.52620
   55    51 S   CMA  _C7_    63     1.43267   104.40414    31.02581
   56    55 S   OM   _O15    64     1.26151   123.20494   162.12579
   57    52 S   CT   _C8_    52     1.52746   111.18234   173.22376
   58    57 S   HC   _H21    53     1.09648   109.03683  -162.39098
   59    57 S   HC   _H22    54     1.09685   109.85506    81.60274
   60    57 S   CT   _C9_    55     1.52899   112.58549   -40.03680
   61    60 S   HC   _H23    56     1.09786   109.20326   107.23870
   62    60 S   HC   _H24    57     1.09621   109.63495  -136.80013
   63    60 S   CT   _C12    58     1.52675   112.27892   -14.24823
   64    63 S   HC   _H29    59     1.09634   108.88093  -179.65057
   65    63 S   HC   _H30    60     1.09791   109.37148   -63.03622
   66    43 S   NT   _N14    61     1.48001   110.25603   -76.82286
  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  11   5   4   3
  18   2   1   1  13   5   8   4  10   4  14   7  10   5   4  11
  14   7   4  10   6   5   1   1   9   5   4   6   5   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    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    45    48    49    51    55    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    45    46    47    48    49    50    52    66    51    55    56    39    40  
   35    36  
   36  
    0  
   38    41    42    43    44    45    48    49    66    51    55    39    40  
   41    42    43    48    39  
   40    41    45    48    49    51    55    56  
   48    51    55    56  
   42    43    44    45    46    47    48    49    63    66  
   43    44    45    66  
   44    45    46    47    48    49    50    52    60    63    64    65    66    51  
   45    46    47    48    49    63    66  
   46    47    48    49    50    52    63    66    51    55  
   47    48    49    66    51  
   48    49    66    51  
   49    50    52    53    54    57    63    66    51    55    56  
   50    52    53    54    57    58    59    60    63    64    65    66    51    55  
   52    53    54    57    63    66    51  
   55    56    52    66  
   53    54    57    58    59    60    61    62    63    66  
   54    57    58    59    60    66  
   57    58    59    60    66  
   56  
    0  
   58    59    60    61    62    63    64    65    66  
   59    60    61    62    63  
   60    61    62    63  
   61    62    63    64    65    66  
   62    63    64    65    66  
   63    64    65    66  
   64    65    66  
   65    66  
   66  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   56   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
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    48   268.000  1.529
   33    39   317.000  1.510
   37    38   340.000  1.080
   37    41   549.000  1.340
   41    42   340.000  1.080
   41    43   317.000  1.510
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    66   382.000  1.448
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   268.000  1.529
   48    51   320.000  1.410
   49    50   340.000  1.090
   49    52   268.000  1.529
   49    66   382.000  1.448
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   382.000  1.448
   51    55   440.000  1.360
   55    56   745.000  1.250
   55    39   465.000  1.376
   39    40   340.000  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    75.00000  112.20000
   29    33    48    75.00000  111.63000
   29    33    39    75.00000  112.20000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    48    45    58.35000  112.70000
   33    48    49    58.35000  112.70000
   33    48    51    50.00000  109.50000
   33    39    55    70.00000  124.00000
   33    39    40    35.00000  117.00000
   37    41    42    35.00000  120.00000
   37    41    43    70.00000  124.00000
   41    37    38    35.00000  120.00000
   41    43    44    35.00000  109.50000
   41    43    45    70.00000  112.02700
   41    43    66    75.00000  110.70900
   43    41    42    35.00000  117.00000
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    48    58.35000  112.70000
   43    66    49    51.80000  107.20000
   43    66    63    51.80000  107.20000
   45    43    44    37.50000  110.70000
   45    48    49    58.35000  112.70000
   45    48    51    50.00000  109.50000
   47    45    46    33.00000  107.80000
   48    33    37    70.00000  112.02700
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    49    50    37.50000  110.70000
   48    49    52    58.35000  112.70000
   48    49    66    56.20000  109.47000
   48    51    55    90.00000  111.18400
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    57    58.35000  112.70000
   49    66    63    51.80000  107.20000
   52    49    50    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    60    58.35000  112.70000
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    56.20000  109.47000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    43    44    35.00000  109.50000
   66    43    45    56.20000  109.47000
   66    49    50    35.00000  109.50000
   66    49    52    56.20000  109.47000
   66    63    64    35.00000  109.50000
   66    63    65    35.00000  109.50000
   51    48    49    50.00000  109.50000
   51    55    56    65.00000  121.00000
   51    55    39    80.00000  120.01400
   55    39    40    40.00000  120.50800
   39    33    37    70.00000  110.12100
   39    33    48    70.00000  112.02700
   39    55    56    65.00000  137.10300
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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  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    38   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    48    45   0.44750  1.0 1.0
   29    33    48    45  -0.17800 -1.0 2.0
   29    33    48    45   0.20200  1.0 3.0
   29    33    48    49   0.44750  1.0 1.0
   29    33    48    49  -0.17800 -1.0 2.0
   29    33    48    49   0.20200  1.0 3.0
   29    33    48    51   0.56750  1.0 1.0
   29    33    48    51  -0.07550 -1.0 2.0
   29    33    48    51   0.20000  1.0 3.0
   29    33    39    55   0.42700  1.0 1.0
   29    33    39    55  -0.70350 -1.0 2.0
   29    33    39    55  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    43   7.00000 -1.0 2.0
   33    48    49    50   0.15000  1.0 3.0
   33    48    49    52   0.56750  1.0 1.0
   33    48    49    52  -0.07550 -1.0 2.0
   33    48    49    52   0.20000  1.0 3.0
   33    48    49    66   1.53400  1.0 1.0
   33    48    49    66  -0.09950 -1.0 2.0
   33    48    49    66   0.05700  1.0 3.0
   33    48   -51    55  -0.46850  1.0 1.0
   33    48   -51    55   0.09300 -1.0 2.0
   33    48   -51    55  -0.12850  1.0 3.0
   37    33    48    45   0.34400  1.0 1.0
   37    33    48    45   0.09450 -1.0 2.0
   37    33    48    45   0.11100  1.0 3.0
   37    33    48    49   0.34400  1.0 1.0
   37    33    48    49   0.09450 -1.0 2.0
   37    33    48    49   0.11100  1.0 3.0
   37    33    48    51   0.61850  1.0 1.0
   37    33    48    51  -0.22750 -1.0 2.0
   37    33    48    51   0.15300  1.0 3.0
   37    33    39    55  -0.28300  1.0 1.0
   37    33    39    55   0.26700 -1.0 2.0
   37    33    39    55  -0.63300  1.0 3.0
   37    33    39    40   0.00000  1.0 1.0
   37    41    43    44   0.00000  1.0 1.0
   37    41   -43    45   0.09850  1.0 1.0
   37    41   -43    45   0.15250 -1.0 2.0
   37    41   -43    45  -0.50650  1.0 3.0
   37    41    43    66   0.90200  1.0 1.0
   37    41    43    66   0.57900 -1.0 2.0
   37    41    43    66  -0.62100  1.0 3.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    43   7.00000 -1.0 2.0
   41    43    45    46   0.15000  1.0 3.0
   41    43    45    47   0.15000  1.0 3.0
   41    43    45    48   0.34400  1.0 1.0
   41    43    45    48   0.09450 -1.0 2.0
   41    43    45    48   0.11100  1.0 3.0
   41    43    66    49  -0.60800  1.0 1.0
   41    43    66    49   1.10050 -1.0 2.0
   41    43    66    49   0.47000  1.0 3.0
   41    43    66    63  -0.60800  1.0 1.0
   41    43    66    63   1.10050 -1.0 2.0
   41    43    66    63   0.47000  1.0 3.0
   42    41    43    44   0.33100  1.0 3.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    66   0.00000  1.0 1.0
   43    45   -48    33   0.56750  1.0 1.0
   43    45   -48    33  -0.07550 -1.0 2.0
   43    45   -48    33   0.20000  1.0 3.0
   43    45   -48    49   0.56750  1.0 1.0
   43    45   -48    49  -0.07550 -1.0 2.0
   43    45   -48    49   0.20000  1.0 3.0
   43    45    48    51   0.62750  1.0 1.0
   43    45    48    51  -0.30950 -1.0 2.0
   43    45    48    51   0.27300  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    48   0.15000  1.0 3.0
   44    43    66    49   0.28000  1.0 3.0
   44    43    66    63   0.28000  1.0 3.0
   45    43   -66    49   0.23450  1.0 1.0
   45    43   -66    49   0.02050 -1.0 2.0
   45    43   -66    49   0.25250  1.0 3.0
   45    43    66    63   0.23450  1.0 1.0
   45    43    66    63   0.02050 -1.0 2.0
   45    43    66    63   0.25250  1.0 3.0
   45    48    49    50   0.15000  1.0 3.0
   45    48    49    52   0.56750  1.0 1.0
   45    48    49    52  -0.07550 -1.0 2.0
   45    48    49    52   0.20000  1.0 3.0
   45    48   -49    66   1.53400  1.0 1.0
   45    48   -49    66  -0.09950 -1.0 2.0
   45    48   -49    66   0.05700  1.0 3.0
   45    48    51    55  -0.46850  1.0 1.0
   45    48    51    55   0.09300 -1.0 2.0
   45    48    51    55  -0.12850  1.0 3.0
   46    45    48    33   0.15000  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    51   0.23400  1.0 3.0
   47    45    48    33   0.15000  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    51   0.23400  1.0 3.0
   48    33    37    38   0.00000  1.0 1.0
   48    33   -37    41   0.09850  1.0 1.0
   48    33   -37    41   0.15250 -1.0 2.0
   48    33   -37    41  -0.50650  1.0 3.0
   48    33   -39    55   0.09850  1.0 1.0
   48    33   -39    55   0.15250 -1.0 2.0
   48    33   -39    55  -0.50650  1.0 3.0
   48    33    39    40   0.00000  1.0 1.0
   48    49    52    53   0.15000  1.0 3.0
   48    49    52    54   0.15000  1.0 3.0
   48    49    52    57   0.56750  1.0 1.0
   48    49    52    57  -0.07550 -1.0 2.0
   48    49    52    57   0.20000  1.0 3.0
   48    49   -66    43   0.23450  1.0 1.0
   48    49   -66    43   0.02050 -1.0 2.0
   48    49   -66    43   0.25250  1.0 3.0
   48    49    66    63   0.23450  1.0 1.0
   48    49    66    63   0.02050 -1.0 2.0
   48    49    66    63   0.25250  1.0 3.0
   48    51    55    56   2.00000 -1.0 2.0
   48    51   -55    39  -2.26850  1.0 1.0
   48    51   -55    39   3.39050 -1.0 2.0
   49    48    51    55  -0.46850  1.0 1.0
   49    48    51    55   0.09300 -1.0 2.0
   49    48    51    55  -0.12850  1.0 3.0
   49    52    57    58   0.15000  1.0 3.0
   49    52    57    59   0.15000  1.0 3.0
   49    52    57    60   0.56750  1.0 1.0
   49    52    57    60  -0.07550 -1.0 2.0
   49    52    57    60   0.20000  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    57   0.15000  1.0 3.0
   50    49    66    43   0.28000  1.0 3.0
   50    49    66    63   0.28000  1.0 3.0
   52    49    66    43   0.23450  1.0 1.0
   52    49    66    43   0.02050 -1.0 2.0
   52    49    66    43   0.25250  1.0 3.0
   52    49    66    63   0.23450  1.0 1.0
   52    49    66    63   0.02050 -1.0 2.0
   52    49    66    63   0.25250  1.0 3.0
   52    57    60    61   0.15000  1.0 3.0
   52    57    60    62   0.15000  1.0 3.0
   52    57   -60    63   0.56750  1.0 1.0
   52    57   -60    63  -0.07550 -1.0 2.0
   52    57   -60    63   0.20000  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    60   0.15000  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
   57    60    63    64   0.15000  1.0 3.0
   57    60    63    65   0.15000  1.0 3.0
   57    60    63    66   1.53400  1.0 1.0
   57    60    63    66  -0.09950 -1.0 2.0
   57    60    63    66   0.05700  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    63   0.15000  1.0 3.0
   60    63    66    43   0.23450  1.0 1.0
   60    63    66    43   0.02050 -1.0 2.0
   60    63    66    43   0.25250  1.0 3.0
   60    63   -66    49   0.23450  1.0 1.0
   60    63   -66    49   0.02050 -1.0 2.0
   60    63   -66    49   0.25250  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    66   0.15000  1.0 3.0
   64    63    66    43   0.28000  1.0 3.0
   64    63    66    49   0.28000  1.0 3.0
   65    63    66    43   0.28000  1.0 3.0
   65    63    66    49   0.28000  1.0 3.0
   66    43    45    46   0.15000  1.0 3.0
   66    43    45    47   0.15000  1.0 3.0
   66    43   -45    48   1.53400  1.0 1.0
   66    43   -45    48  -0.09950 -1.0 2.0
   66    43   -45    48   0.05700  1.0 3.0
   66    49    52    53   0.15000  1.0 3.0
   66    49    52    54   0.15000  1.0 3.0
   66    49   -52    57   1.53400  1.0 1.0
   66    49   -52    57  -0.09950 -1.0 2.0
   66    49   -52    57   0.05700  1.0 3.0
   51    48    49    50   0.23400  1.0 3.0
   51    48    49    52   0.62750  1.0 1.0
   51    48    49    52  -0.30950 -1.0 2.0
   51    48    49    52   0.27300  1.0 3.0
   51    48    49    66   1.74050  1.0 1.0
   51    55   -39    33   7.00000 -1.0 2.0
   51    55    39    40   7.00000 -1.0 2.0
   56    55    39    33   7.00000 -1.0 2.0
   56    55    39    40   7.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41  -0.28300  1.0 1.0
   39    33    37    41   0.26700 -1.0 2.0
   39    33    37    41  -0.63300  1.0 3.0
   39    33    48    45   0.34400  1.0 1.0
   39    33    48    45   0.09450 -1.0 2.0
   39    33    48    45   0.11100  1.0 3.0
   39    33    48    49   0.34400  1.0 1.0
   39    33    48    49   0.09450 -1.0 2.0
   39    33    48    49   0.11100  1.0 3.0
   39    33   -48    51   0.61850  1.0 1.0
   39    33   -48    51  -0.22750 -1.0 2.0
   39    33   -48    51   0.15300  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   43    42    41    37   1.10000 -1.0 2.0
   51    56    55    39   1.10000 -1.0 2.0
   33    40    39    55   1.10000 -1.0 2.0
END
