* LIGAND DATABASE FILE (OPLS2005)
*
001      70    71    125    195     368
    1     0 S   NP   _N1_     1    28.73115    96.13261   -24.02002
    2     1 S   H    _HN1     2     1.02785   107.35204   -86.31535
    3     1 S   H    _H1_     3     1.02950    72.32694    17.97287
    4     1 S   H    _H2_     4     1.02829    37.08546   176.77378
    5     1 S   CT   _CA1     5     1.50097   136.39102   119.29301
    6     5 S   HC   _HA1     6     1.09571   105.21826    92.14607
    7     5 S   CO3  _C1_     7     1.53800   112.49000   -28.14394
    8     7 S   O2Z  _O11     8     1.26370   115.01418   -42.19993
    9     7 S   O2Z  _O12     9     1.26243   114.95262   137.05437
   10     5 S   CT   _CB1    10     1.53089   107.43800  -149.82361
   11    10 S   HC   HB11    11     1.09830   109.42687   -49.61653
   12    10 S   HC   HB12    12     1.09814   110.41860    67.00927
   13    10 S   CT   _CG1    13     1.52977   112.58092  -170.59933
   14    13 S   HC   HG11    14     1.09587   110.60329   -64.55656
   15    13 S   HC   HG12    15     1.09667   109.82377    54.67497
   16    13 S   C    _CD1    16     1.51781   112.29805   175.17343
   17    16 S   O    _OE1    17     1.22718   123.31849     4.97457
   18    16 S   N    _N2_    18     1.38638   111.59772  -175.14518
   19    18 S   H    _HN2    19     1.01579   118.93384     2.22017
   20    18 S   CT1  _CA2    20     1.46222   123.45080   178.64752
   21    20 S   HC   _HA2    21     1.09737   109.41586     2.54814
   22    20 S   C    _C2_    22     1.53529   108.64877  -113.03842
   23    22 S   O    _O2_    23     1.23059   122.28047  -147.80442
   24    20 S   CT   _CB2    32     1.53449   111.35643   124.59864
   25    24 S   HC   HB21    33     1.09341   109.44234    56.79522
   26    24 S   HC   HB22    34     1.09442   109.73971   175.52736
   27    22 S   N    _N3_    24     1.38323   113.70266    39.62278
   28    27 S   H    _HN3    25     1.01588   119.59693    -3.25708
   29    24 S   S    _SG2    35     1.82854   111.00775   -65.28896
   30    27 S   CT   _CA3    26     1.45292   123.20278   177.13010
   31    30 S   HC   HA31    27     1.09549   107.50317   -64.69641
   32    30 S   HC   HA32    28     1.09557   107.99049    51.74088
   33    29 S   CT   _C15    36     1.89641   102.69746   164.95008
   34    30 S   CO3  _C3_    29     1.52959   114.08570   173.73859
   35    34 S   O2Z  _O31    30     1.26373   116.06451    -0.83416
   36    34 S   O2Z  _O32    31     1.26428   114.41457   179.23026
   37    33 S   CM   _C6_    37     1.53026   104.60435   165.10730
   38    33 S   CT   _C16    60     1.55305   106.41430   -72.74402
   39    38 S   HC   _H12    61     1.09632   109.94155    64.36577
   40    38 S   HC   _H13    62     1.09806   110.26515   -53.55489
   41    37 S   CMA  _C7_    38     1.36622   126.65579   -90.06821
   42    41 S   OM   _O38    39     1.26962   126.79666  -177.63744
   43    37 S   CO4  _C5_    54     1.50413   117.42348    89.61616
   44    43 S   O    _O33    55     1.22933   121.16018    91.52795
   45    38 S   CO4  _C17    63     1.52961   117.59632  -175.59656
   46    45 S   O    _O35    64     1.22878   123.14712    -5.10016
   47    41 S   CA   _C8_    40     1.53024   113.79619     4.73599
   48    43 S   CT   _C4_    56     1.50648   117.30202   -86.23994
   49    48 S   HC   _H3_    57     1.09262   109.50809    98.16464
   50    48 S   HC   _H4_    58     1.09314   111.14626   -23.10990
   51    48 S   HC   _H5_    59     1.09374   109.03403  -141.67902
   52    45 S   CT   _C18    65     1.51561   115.19578   173.64844
   53    52 S   HC   _H14    66     1.09485   108.29429   -85.02082
   54    52 S   HC   _H15    67     1.09565   109.35388    32.66675
   55    47 S   CA   _C9_    41     1.41284   120.35711   -20.80164
   56    52 S   CO3  _C19    68     1.52158   111.29479   152.16537
   57    56 S   O2Z  _O37    69     1.26287   115.22370   109.31755
   58    56 S   O2Z  _O36    70     1.26395   115.02104   -72.14058
   59    55 S   CA   _C10    42     1.40635   121.27859  -178.59222
   60    59 S   HA   _H6_    43     1.08732   120.28065   178.95003
   61    33 S   CT   _C14    51     1.54191   111.43850    47.74271
   62    61 S   HC   _H10    52     1.09561   111.14397   -56.98071
   63    61 S   HC   _H11    53     1.09589   111.40933  -174.01771
   64    59 S   CA   _C11    44     1.38961   120.60811    -1.38677
   65    64 S   HA   _H7_    45     1.08565   120.23247  -179.54889
   66    64 S   CA   _C12    46     1.38790   119.52375     0.38461
   67    66 S   HA   _H8_    47     1.08665   119.71731  -179.75451
   68    47 S   CA   _C13    48     1.41613   123.27218   159.12602
   69    68 S   OH   _O34    49     1.37334   123.03748    -1.21112
   70    69 S   HO   _H9_    50     0.97559   107.22178     4.36000
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  18   2   1   1  18  14   5   4  11   4   7   4   8   4  12   3
   2   1   1   5   4   3  10   2   1   1   9   4   4   1   1   5
   3   4   2   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    61    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    55    61    62    63    43    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    47    55    59    61    62    63    43    44    48    38    39    40    45    46    52  
   35    36  
   36  
    0  
   41    42    47    55    68    61    62    63    43    44    48    49    50    51    38    39    40    45  
   39    40    45    46    52    53    54    56    41    43    55    61    62    63  
   40    45    46    52    61  
   45    46    52    61  
   42    47    55    59    66    68    69    61    43    44    48  
   47    55    68    43  
   44    48    49    50    51    47    61  
   48    49    50    51  
   46    52    53    54    56    57    58    61  
   52    53    54    56  
   55    59    60    64    66    67    68    69    70    61    62    63  
   49    50    51  
   50    51  
   51  
    0  
   53    54    56    57    58  
   54    56    57    58  
   56    57    58  
   59    60    64    65    66    68    69    61    62    63  
   57    58  
   58  
    0  
   60    64    65    66    67    68    61    62    63  
   64    65    66    61  
   62    63    64    68  
   63  
    0  
   65    66    67    68    69  
   66    67    68  
   67    68    69    70  
   68    69  
   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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    61   268.000  1.529
   33    38   268.000  1.529
   37    41   465.000  1.376
   37    43   320.000  1.462
   41    42   745.000  1.250
   41    47   320.000  1.460
   47    55   469.000  1.400
   47    68   469.000  1.400
   55    59   469.000  1.400
   55    61   317.000  1.510
   59    60   367.000  1.080
   59    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   450.000  1.364
   69    70   553.000  0.945
   61    62   340.000  1.090
   61    63   340.000  1.090
   43    44   570.000  1.229
   43    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   317.000  1.522
   45    46   570.000  1.229
   45    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    56   317.000  1.522
   56    57   656.000  1.250
   56    58   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  112.20000
   29    33    61    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  124.00000
   33    37    43    65.00000  116.34900
   33    61    55    70.00000  112.17500
   33    61    62    37.50000  110.70000
   33    61    63    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    63.00000  111.10000
   37    41    42    65.00000  137.10300
   37    41    47    60.00000  123.20500
   37    43    44    80.00000  123.72100
   37    43    48    65.00000  118.62400
   41    47    55    60.00000  120.93500
   41    47    68    60.00000  120.93500
   47    41    42    85.00000  114.86500
   47    55    59    63.00000  120.00000
   47    55    61    70.00000  120.00000
   47    68    66    63.00000  120.00000
   47    68    69    70.00000  120.00000
   55    59    60    35.00000  120.00000
   55    59    64    63.00000  120.00000
   55    61    62    35.00000  109.50000
   55    61    63    35.00000  109.50000
   59    64    65    35.00000  120.00000
   59    64    66    63.00000  120.00000
   64    59    60    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    68    63.00000  120.00000
   66    64    65    35.00000  120.00000
   66    68    69    70.00000  120.00000
   68    47    55    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    69    70    35.00000  113.00000
   61    33    37    70.00000  112.02700
   61    55    59    70.00000  120.00000
   63    61    62    33.00000  107.80000
   43    37    41    60.00000  125.92000
   43    48    49    35.00000  109.50000
   43    48    50    35.00000  109.50000
   43    48    51    35.00000  109.50000
   48    43    44    80.00000  120.40000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    61    58.35000  112.70000
   38    45    46    80.00000  120.40000
   38    45    52    70.00000  116.00000
   40    38    39    33.00000  107.80000
   45    38    39    35.00000  109.50000
   45    38    40    35.00000  109.50000
   45    52    53    35.00000  109.50000
   45    52    54    35.00000  109.50000
   45    52    56    70.00000  107.85200
   52    45    46    80.00000  120.40000
   52    56    57    70.00000  117.00000
   52    56    58    70.00000  117.00000
   54    52    53    33.00000  107.80000
   56    52    53    35.00000  109.50000
   56    52    54    35.00000  109.50000
   58    56    57    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  -0.62250  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    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   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    37    43   0.09700  1.0 1.0
   29    33    37    43   0.15600 -1.0 2.0
   29    33    37    43  -0.50800  1.0 3.0
   29    33    61    55   0.56750  1.0 1.0
   29    33    61    55  -0.07550 -1.0 2.0
   29    33    61    55   0.20000  1.0 3.0
   29    33    61    62   0.15000  1.0 3.0
   29    33    61    63   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    47   7.00000 -1.0 2.0
   33    37    43    44  -0.64400  1.0 1.0
   33    37    43    44   0.26850 -1.0 2.0
   33    37    43    48   0.25700  1.0 1.0
   33    37    43    48   0.66200 -1.0 2.0
   33    37    43    48   0.04450  1.0 3.0
   33    38    45    46   0.30150 -1.0 2.0
   33    38    45    52   0.60050  1.0 1.0
   33    38    45    52   0.05600 -1.0 2.0
   33    38    45    52   0.26150  1.0 3.0
   37    33    61    55   0.21200  1.0 1.0
   37    33    61    55   0.16900 -1.0 2.0
   37    33    61    55  -1.15100  1.0 3.0
   37    33    61    62   0.15000  1.0 3.0
   37    33    61    63   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45  -0.98800  1.0 1.0
   37    33    38    45   0.48800 -1.0 2.0
   37    33    38    45   0.76800  1.0 3.0
   37    41   -47    55   0.15800  1.0 1.0
   37    41   -47    55   1.85350 -1.0 2.0
   37    41   -47    55  -0.48700  1.0 3.0
   37    41    47    68   0.15800  1.0 1.0
   37    41    47    68   1.85350 -1.0 2.0
   37    41    47    68  -0.48700  1.0 3.0
   37    43    48    49   0.00000  1.0 1.0
   37    43    48    50   0.00000  1.0 1.0
   37    43    48    51   0.00000  1.0 1.0
   41    37    43    44   1.00000 -1.0 2.0
   41    37    43    48  -0.33500  1.0 1.0
   41    37    43    48   1.06600 -1.0 2.0
   41    37    43    48  -0.14000  1.0 3.0
   41    47    55    59   3.62500 -1.0 2.0
   41    47    55    61   3.62500 -1.0 2.0
   41    47    68    66   3.62500 -1.0 2.0
   41    47    68    69   3.62500 -1.0 2.0
   42    41    47    55  -0.01750  1.0 1.0
   42    41    47    55  -0.32000 -1.0 2.0
   42    41    47    55   0.00600  1.0 3.0
   42    41    47    68  -0.01750  1.0 1.0
   42    41    47    68  -0.32000 -1.0 2.0
   42    41    47    68   0.00600  1.0 3.0
   47    55    59    60   3.62500 -1.0 2.0
   47    55    59    64   3.62500 -1.0 2.0
   47    55   -61    33   0.04150 -1.0 2.0
   47    55    61    62   0.00000  1.0 1.0
   47    55    61    63   0.00000  1.0 1.0
   47    68    69    70   0.84100 -1.0 2.0
   55    47    68    66   3.62500 -1.0 2.0
   55    47    68    69   3.62500 -1.0 2.0
   55    59    64    65   3.62500 -1.0 2.0
   55    59   -64    66   3.62500 -1.0 2.0
   59    55    61    33   0.04150 -1.0 2.0
   59    55    61    62   0.00000  1.0 1.0
   59    55    61    63   0.00000  1.0 1.0
   59    64    66    67   3.62500 -1.0 2.0
   59    64    66    68   3.62500 -1.0 2.0
   60    59    64    65   3.62500 -1.0 2.0
   60    59    64    66   3.62500 -1.0 2.0
   64    66   -68    47   3.62500 -1.0 2.0
   64    66    68    69   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   66    68    69    70   0.84100 -1.0 2.0
   67    66    68    47   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   68    47   -55    59   3.62500 -1.0 2.0
   68    47    55    61   3.62500 -1.0 2.0
   61    33   -37    41   0.09850  1.0 1.0
   61    33   -37    41   0.15250 -1.0 2.0
   61    33   -37    41  -0.50650  1.0 3.0
   61    33    37    43   0.09700  1.0 1.0
   61    33    37    43   0.15600 -1.0 2.0
   61    33    37    43  -0.50800  1.0 3.0
   61    33    38    39   0.15000  1.0 3.0
   61    33    38    40   0.15000  1.0 3.0
   61    33    38    45  -0.95700  1.0 1.0
   61    33    38    45  -0.18200 -1.0 2.0
   61    33    38    45   0.29450  1.0 3.0
   61    55    59    60   3.62500 -1.0 2.0
   61    55    59    64   3.62500 -1.0 2.0
   43    37    41    42   7.00000 -1.0 2.0
   43    37    41    47   7.00000 -1.0 2.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.00000  1.0 1.0
   44    43    48    51   0.00000  1.0 1.0
   38    33    37    41   0.09850  1.0 1.0
   38    33    37    41   0.15250 -1.0 2.0
   38    33    37    41  -0.50650  1.0 3.0
   38    33    37    43   0.09700  1.0 1.0
   38    33    37    43   0.15600 -1.0 2.0
   38    33    37    43  -0.50800  1.0 3.0
   38    33    61    55  -0.03700  1.0 1.0
   38    33    61    55   0.37200 -1.0 2.0
   38    33    61    55  -0.47300  1.0 3.0
   38    33    61    62   0.15000  1.0 3.0
   38    33    61    63   0.15000  1.0 3.0
   38    45    52    53   0.00000  1.0 1.0
   38    45    52    54   0.00000  1.0 1.0
   38    45    52    56   0.65300  1.0 1.0
   38    45    52    56  -0.03850 -1.0 2.0
   38    45    52    56   0.33900  1.0 3.0
   39    38    45    46   0.00000  1.0 1.0
   39    38    45    52   0.00000  1.0 1.0
   40    38    45    46   0.00000  1.0 1.0
   40    38    45    52   0.00000  1.0 1.0
   45    52    56    57   0.30150 -1.0 2.0
   45    52    56    58   0.30150 -1.0 2.0
   46    45    52    53   0.00000  1.0 1.0
   46    45    52    54   0.00000  1.0 1.0
   46    45    52    56   0.30150 -1.0 2.0
   53    52    56    57   0.00000  1.0 1.0
   53    52    56    58   0.00000  1.0 1.0
   54    52    56    57   0.00000  1.0 1.0
   54    52    56    58   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    43    37    41   1.10000 -1.0 2.0
   47    42    41    37   1.10000 -1.0 2.0
   55    68    47    41   4.00000 -1.0 2.0
   59    61    55    47   4.00000 -1.0 2.0
   64    60    59    55   1.10000 -1.0 2.0
   66    65    64    59   1.10000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   66    69    68    47   4.00000 -1.0 2.0
   37    48    43    44  10.50000 -1.0 2.0
   38    52    45    46  10.50000 -1.0 2.0
   57    52    56    58  10.50000 -1.0 2.0
END
