* LIGAND DATABASE FILE (OPLS2005)
*
001      70    72    129    206     382
    1     0 S   NP   _N1_     1    28.59743    95.20506   -22.23917
    2     1 S   H    _HN1     2     1.02777    96.77809   -91.31506
    3     1 S   H    _H1_     3     1.02961    83.33746    16.46103
    4     1 S   H    _H2_     4     1.02836    31.60575   155.24054
    5     1 S   CT   _CA1     5     1.50140   140.49838   130.60077
    6     5 S   HC   _HA1     6     1.09577   105.19630    72.57928
    7     5 S   CO3  _C1_     7     1.53764   112.42695   -47.54569
    8     7 S   O2Z  _O11     8     1.26357   114.98110   -42.29062
    9     7 S   O2Z  _O12     9     1.26239   114.91982   136.78751
   10     5 S   CT   _CB1    10     1.53092   107.41627  -169.54808
   11    10 S   HC   HB11    11     1.09826   109.22626   -50.90574
   12    10 S   HC   HB12    12     1.09816   110.44466    65.61302
   13    10 S   CT   _CG1    13     1.53023   112.73887  -172.02425
   14    13 S   HC   HG11    14     1.09595   110.46571   -65.80912
   15    13 S   HC   HG12    15     1.09661   109.93616    53.41650
   16    13 S   C    _CD1    16     1.51839   112.32676   173.69311
   17    16 S   O    _OE1    17     1.22724   123.25905     0.11535
   18    16 S   N    _N2_    18     1.38636   111.66324  -179.52729
   19    18 S   H    _HN2    19     1.01582   118.99842     1.06257
   20    18 S   CT1  _CA2    20     1.46203   123.42601   178.77955
   21    20 S   HC   _HA2    21     1.09737   109.46097    -1.57072
   22    20 S   C    _C2_    22     1.53550   108.40685  -117.14701
   23    22 S   O    _O2_    23     1.23039   122.19070  -144.95391
   24    20 S   CT   _CB2    32     1.53524   111.63265   120.49274
   25    24 S   HC   HB21    33     1.09448   109.27384    55.70836
   26    24 S   HC   HB22    34     1.09146   109.51227   174.20191
   27    22 S   N    _N3_    24     1.38489   113.55088    42.35605
   28    27 S   H    _HN3    25     1.01489   118.99144    -0.40348
   29    24 S   S    _SG2    35     1.83003   111.29076   -64.75862
   30    27 S   CT   _CA3    26     1.45459   123.48114   175.30785
   31    30 S   HC   HA31    27     1.09519   109.30831    23.28459
   32    30 S   HC   HA32    28     1.09498   107.10405   140.28938
   33    29 S   CT   _C17    36     1.87034   103.27164  -170.67066
   34    30 S   CO3  _C3_    29     1.52915   113.05855  -100.24993
   35    34 S   O2Z  _O31    30     1.26405   115.37561   -45.23656
   36    34 S   O2Z  _O32    31     1.26351   115.00466   135.68691
   37    33 S   CO4  _C11    37     1.52999   109.98063   -32.53227
   38    37 S   O    _O19    38     1.22902   123.59229    99.86992
   39    33 S   CT   _C16    59     1.57225   113.38827    89.01137
   40    39 S   HC   _H30    60     1.09999   108.70065  -168.50359
   41    37 S   CA   _C8_    39     1.47288   118.18970   -77.46522
   42    39 S   CT   _C18    61     1.53076   117.15364   -47.92706
   43    42 S   HC   _H31    62     1.09473   111.84047    65.90738
   44    42 S   HC   _H32    63     1.09129   113.02079   -58.00670
   45    42 S   HC   _H33    64     1.09699   109.52101  -177.53113
   46    41 S   CA   _C7_    40     1.39889   117.96156   -27.06305
   47    46 S   CA   _C5_    41     1.41454   116.96255   177.90650
   48    47 S   HA   _H25    42     1.08869   120.79510  -179.33265
   49    46 S   CMA  _C10    50     1.51214   122.48143    -3.57987
   50    49 S   OM   _O17    51     1.26908   118.84493  -162.59286
   51    47 S   CA   _C4_    43     1.39753   121.97614     0.57061
   52    51 S   HA   _H24    44     1.08615   119.90052  -179.96044
   53    33 S   CM   _C12    52     1.54072   105.75988  -149.55824
   54    51 S   CA   _C6_    45     1.38734   119.92421     0.25334
   55    54 S   HA   _H26    46     1.08614   119.95034   179.81977
   56    53 S   CT   _C14    53     1.53162   113.48926   -83.02325
   57    56 S   HC   _H27    54     1.09803   107.76031    71.63567
   58    56 S   HC   _H28    55     1.09519   112.62177  -171.14357
   59    41 S   CA   _C9_    47     1.40748   120.96217   152.09302
   60    56 S   CT   _C15    56     1.52383   111.18966   -48.79681
   61    60 S   HC   _H29    57     1.09777   110.62228   -59.34853
   62    59 S   OH   _O22    48     1.36961   123.33138     0.97659
   63    62 S   HO   _H36    49     0.97377   108.78160     6.34094
   64    60 S   OS   _O21    58     1.42707   107.33395    60.70757
   65    60 S   CT   _C19    65     1.52831   110.86006   178.19117
   66    65 S   HC   _H34    66     1.09710   109.75169    50.80345
   67    65 S   HC   _H35    67     1.09782   109.67348   -67.49227
   68    65 S   CO3  _C13    68     1.53346   115.53397   171.02894
   69    68 S   O2Z  _O18    69     1.26588   114.00663   168.37044
   70    68 S   O2Z  _O20    70     1.26129   116.86393   -12.34860
  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
  19   2   1   1  14   5  13   7  12   6   3   2   1  11   9   4
   8   2   5   3   7   4   2   9   5   4   2   8   5   1   1   4
   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    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    49    53    56    64    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    46    59    49    50    53    56    57    58    60    64    39    40    42    43    44    45  
   35    36  
   36  
    0  
   38    41    46    47    54    59    62    49    53    56    64    39    40    42  
   41    46    59    53    39  
   40    42    43    44    45    65    41    49    53    56    60    61    64  
   42    43    44    45    53    60    64  
   46    47    48    51    54    55    59    62    63    49    50    53  
   43    44    45    53    60    64  
   44    45    64  
   45    64  
   64  
   47    48    51    52    54    59    62    49    50    53    56  
   48    51    52    54    55    59    49    50    53  
   51    52    54    49  
   50    53    56    57    58    60    51    59  
   53    56  
   52    54    55    59    62  
   54    55    59  
   56    57    58    60    61    64    65  
   55    59    62    63  
   59    62  
   57    58    60    61    64    65    66    67    68  
   58    60    61    64    65  
   60    61    64    65  
   62    63  
   61    64    65    66    67    68    69    70  
   64    65    66    67    68  
   63  
    0  
   65    66    67    68  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70  
   69    70  
   70  
    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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   50   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   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   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   65   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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  1.522
   33    53   317.000  1.510
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    46   469.000  1.400
   41    59   469.000  1.400
   46    47   469.000  1.400
   46    49   320.000  1.460
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    52   367.000  1.080
   51    54   469.000  1.400
   54    55   367.000  1.080
   54    59   469.000  1.400
   59    62   450.000  1.364
   62    63   553.000  0.945
   49    50   745.000  1.250
   49    53   465.000  1.376
   53    56   317.000  1.510
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    64   320.000  1.410
   60    65   268.000  1.529
   64    39   320.000  1.410
   39    40   340.000  1.090
   39    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   317.000  1.522
   68    69   656.000  1.250
   68    70   656.000  1.250
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  110.18000
   29    33    53    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    53    49    70.00000  124.00000
   33    53    56    65.00000  117.92700
   33    39    64    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    42    58.35000  112.70000
   37    41    46    60.00000  119.52600
   37    41    59    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    46    47    63.00000  120.00000
   41    46    49    60.00000  120.93500
   41    59    54    63.00000  120.00000
   41    59    62    70.00000  120.00000
   46    47    48    35.00000  120.00000
   46    47    51    63.00000  120.00000
   46    49    50    85.00000  114.86500
   46    49    53    60.00000  123.20500
   47    51    52    35.00000  120.00000
   47    51    54    63.00000  120.00000
   51    47    48    35.00000  120.00000
   51    54    55    35.00000  120.00000
   51    54    59    63.00000  120.00000
   54    51    52    35.00000  120.00000
   54    59    62    70.00000  120.00000
   59    41    46    63.00000  120.00000
   59    54    55    35.00000  120.00000
   59    62    63    35.00000  113.00000
   49    46    47    60.00000  120.93500
   49    53    56    70.00000  124.00000
   53    33    37    70.00000  109.06800
   53    49    50    65.00000  137.10300
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    60    70.00000  112.02700
   56    60    61    37.50000  110.70000
   56    60    64    50.00000  109.50000
   56    60    65    58.35000  112.70000
   58    56    57    33.00000  107.80000
   60    56    57    37.50000  110.70000
   60    56    58    37.50000  110.70000
   60    64    39    60.00000  109.50000
   60    65    66    37.50000  110.70000
   60    65    67    37.50000  110.70000
   60    65    68    70.00000  109.69300
   64    60    61    35.00000  109.50000
   64    39    40    35.00000  109.50000
   64    39    42    50.00000  109.50000
   39    33    37    63.00000  111.10000
   39    33    53    70.00000  112.02700
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    45    37.50000  110.70000
   42    39    40    37.50000  110.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   65    60    61    37.50000  110.70000
   65    60    64    50.00000  109.50000
   65    68    69    70.00000  117.00000
   65    68    70    70.00000  117.00000
   67    65    66    33.00000  107.80000
   68    65    66    35.00000  109.50000
   68    65    67    35.00000  109.50000
   70    68    69    80.00000  126.00000
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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    53  -0.62250  1.0 1.0
   24    29    33    53  -0.38450 -1.0 2.0
   24    29    33    53   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    53    49   0.42700  1.0 1.0
   29    33    53    49  -0.70350 -1.0 2.0
   29    33    53    49  -0.43150  1.0 3.0
   29    33    53    56   0.30250  1.0 1.0
   29    33    53    56  -0.14950 -1.0 2.0
   29    33    53    56   0.36900  1.0 3.0
   29    33    39    64   0.56750  1.0 1.0
   29    33    39    64  -0.07550 -1.0 2.0
   29    33    39    64   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.44750  1.0 1.0
   29    33    39    42  -0.17800 -1.0 2.0
   29    33    39    42   0.20200  1.0 3.0
   33    37    41    46   2.26350  1.0 1.0
   33    37    41    46   0.76750 -1.0 2.0
   33    37    41    46   0.22500  1.0 3.0
   33    37    41    59   2.26350  1.0 1.0
   33    37    41    59   0.76750 -1.0 2.0
   33    37    41    59   0.22500  1.0 3.0
   33    53    56    57   0.34800  1.0 3.0
   33    53    56    58   0.34800  1.0 3.0
   33    53    56    60   0.46850  1.0 1.0
   33    53    56    60   0.08550 -1.0 2.0
   33    53    56    60   0.09800  1.0 3.0
   33    39    42    43   0.15000  1.0 3.0
   33    39    42    44   0.15000  1.0 3.0
   33    39    42    45   0.15000  1.0 3.0
   37    33    53    49  -0.51250  1.0 1.0
   37    33    53    49  -0.88800 -1.0 2.0
   37    33    53    49   0.08850  1.0 3.0
   37    33    53    56   0.17250  1.0 1.0
   37    33    53    56  -0.04100 -1.0 2.0
   37    33    53    56  -0.33850  1.0 3.0
   37    33    39    64  -0.09450  1.0 1.0
   37    33    39    64  -1.12950 -1.0 2.0
   37    33    39    64   0.54000  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    42  -0.95700  1.0 1.0
   37    33    39    42  -0.18200 -1.0 2.0
   37    33    39    42   0.29450  1.0 3.0
   37    41    46    47   3.62500 -1.0 2.0
   37    41   -46    49   3.62500 -1.0 2.0
   37    41    59    54   3.62500 -1.0 2.0
   37    41    59    62   3.62500 -1.0 2.0
   38    37    41    46   1.05000 -1.0 2.0
   38    37    41    59   1.05000 -1.0 2.0
   41    46    47    48   3.62500 -1.0 2.0
   41    46    47    51   3.62500 -1.0 2.0
   41    46    49    50  -0.01750  1.0 1.0
   41    46    49    50  -0.32000 -1.0 2.0
   41    46    49    50   0.00600  1.0 3.0
   41    46    49    53   0.15800  1.0 1.0
   41    46    49    53   1.85350 -1.0 2.0
   41    46    49    53  -0.48700  1.0 3.0
   41    59    62    63   0.84100 -1.0 2.0
   46    41    59    54   3.62500 -1.0 2.0
   46    41    59    62   3.62500 -1.0 2.0
   46    47    51    52   3.62500 -1.0 2.0
   46    47   -51    54   3.62500 -1.0 2.0
   46    49   -53    33   7.00000 -1.0 2.0
   46    49    53    56   7.00000 -1.0 2.0
   47    46    49    50  -0.01750  1.0 1.0
   47    46    49    50  -0.32000 -1.0 2.0
   47    46    49    50   0.00600  1.0 3.0
   47    46    49    53   0.15800  1.0 1.0
   47    46    49    53   1.85350 -1.0 2.0
   47    46    49    53  -0.48700  1.0 3.0
   47    51    54    55   3.62500 -1.0 2.0
   47    51    54    59   3.62500 -1.0 2.0
   48    47    51    52   3.62500 -1.0 2.0
   48    47    51    54   3.62500 -1.0 2.0
   51    54   -59    41   3.62500 -1.0 2.0
   51    54    59    62   3.62500 -1.0 2.0
   52    51    54    55   3.62500 -1.0 2.0
   52    51    54    59   3.62500 -1.0 2.0
   54    59    62    63   0.84100 -1.0 2.0
   55    54    59    41   3.62500 -1.0 2.0
   55    54    59    62   3.62500 -1.0 2.0
   59    41   -46    47   3.62500 -1.0 2.0
   59    41    46    49   3.62500 -1.0 2.0
   49    46    47    48   3.62500 -1.0 2.0
   49    46    47    51   3.62500 -1.0 2.0
   49    53    56    57   0.00000  1.0 1.0
   49    53    56    58   0.00000  1.0 1.0
   49    53    56    60   0.09850  1.0 1.0
   49    53    56    60   0.15250 -1.0 2.0
   49    53    56    60  -0.50650  1.0 3.0
   50    49    53    33   7.00000 -1.0 2.0
   50    49    53    56   7.00000 -1.0 2.0
   53    33    37    38   0.30150 -1.0 2.0
   53    33   -37    41   0.65300  1.0 1.0
   53    33   -37    41  -0.03850 -1.0 2.0
   53    33   -37    41   0.33900  1.0 3.0
   53    33    39    64   0.61850  1.0 1.0
   53    33    39    64  -0.22750 -1.0 2.0
   53    33    39    64   0.15300  1.0 3.0
   53    33    39    40   0.15000  1.0 3.0
   53    33    39    42   0.34400  1.0 1.0
   53    33    39    42   0.09450 -1.0 2.0
   53    33    39    42   0.11100  1.0 3.0
   53    56    60    61   0.15000  1.0 3.0
   53    56   -60    64   0.61850  1.0 1.0
   53    56   -60    64  -0.22750 -1.0 2.0
   53    56   -60    64   0.15300  1.0 3.0
   53    56    60    65   0.34400  1.0 1.0
   53    56    60    65   0.09450 -1.0 2.0
   53    56    60    65   0.11100  1.0 3.0
   56    60    64    39   0.06250  1.0 1.0
   56    60    64    39  -0.01100 -1.0 2.0
   56    60    64    39   0.28050  1.0 3.0
   56    60    65    66   0.15000  1.0 3.0
   56    60    65    67   0.15000  1.0 3.0
   56    60    65    68  -1.63150  1.0 1.0
   56    60    65    68  -0.43550 -1.0 2.0
   56    60    65    68   0.24500  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    64   0.23400  1.0 3.0
   57    56    60    65   0.15000  1.0 3.0
   58    56    60    61   0.15000  1.0 3.0
   58    56    60    64   0.23400  1.0 3.0
   58    56    60    65   0.15000  1.0 3.0
   60    64   -39    33   0.06250  1.0 1.0
   60    64   -39    33  -0.01100 -1.0 2.0
   60    64   -39    33   0.28050  1.0 3.0
   60    64    39    40   0.37050  1.0 3.0
   60    64    39    42   0.06250  1.0 1.0
   60    64    39    42  -0.01100 -1.0 2.0
   60    64    39    42   0.28050  1.0 3.0
   60    65    68    69   0.41150 -1.0 2.0
   60    65    68    70   0.41150 -1.0 2.0
   61    60    64    39   0.37050  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    67   0.15000  1.0 3.0
   61    60    65    68  -0.11250  1.0 3.0
   64    60    65    66   0.23400  1.0 3.0
   64    60    65    67   0.23400  1.0 3.0
   64    60    65    68  -3.35100  1.0 1.0
   64    60    65    68  -0.37050 -1.0 2.0
   64    60    65    68   0.22400  1.0 3.0
   64    39    42    43   0.23400  1.0 3.0
   64    39    42    44   0.23400  1.0 3.0
   64    39    42    45   0.23400  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.05850 -1.0 2.0
   39    33    37    41   0.17250  1.0 3.0
   39    33    53    49   0.09850  1.0 1.0
   39    33    53    49   0.15250 -1.0 2.0
   39    33    53    49  -0.50650  1.0 3.0
   39    33   -53    56   0.46850  1.0 1.0
   39    33   -53    56   0.08550 -1.0 2.0
   39    33   -53    56   0.09800  1.0 3.0
   40    39    42    43   0.15000  1.0 3.0
   40    39    42    44   0.15000  1.0 3.0
   40    39    42    45   0.15000  1.0 3.0
   65    60    64    39   0.06250  1.0 1.0
   65    60    64    39  -0.01100 -1.0 2.0
   65    60    64    39   0.28050  1.0 3.0
   66    65    68    69   0.00000  1.0 1.0
   66    65    68    70   0.00000  1.0 1.0
   67    65    68    69   0.00000  1.0 1.0
   67    65    68    70   0.00000  1.0 1.0
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    41    37    38  10.50000 -1.0 2.0
   46    59    41    37   4.00000 -1.0 2.0
   47    49    46    41   4.00000 -1.0 2.0
   51    48    47    46   1.10000 -1.0 2.0
   54    52    51    47   1.10000 -1.0 2.0
   59    55    54    51   1.10000 -1.0 2.0
   54    62    59    41   4.00000 -1.0 2.0
   46    50    49    53   1.10000 -1.0 2.0
   33    56    53    49   1.10000 -1.0 2.0
   69    65    68    70  10.50000 -1.0 2.0
END
