* LIGAND DATABASE FILE (OPLS2005)
*
001      68    69    119    184     347
    1     0 S   NP   _N1_     1    28.90958    97.97222   -19.08925
    2     1 S   H    _HN1     2     1.02838    54.49246   145.25135
    3     1 S   H    _H1_     3     1.02780    75.63024   -89.84104
    4     1 S   H    _H2_     4     1.02960    77.20481    23.18219
    5     1 S   CT   _CA1     5     1.50107   165.23782   145.96463
    6     5 S   HC   _HA1     6     1.09568   105.26659    58.56205
    7     5 S   CO3  _C1_     7     1.53809   112.40605   -61.75644
    8     7 S   O2Z  _O11     8     1.26357   115.01098   -42.95355
    9     7 S   O2Z  _O12     9     1.26231   114.96403   136.36514
   10     5 S   CT   _CB1    10     1.53103   107.44638   176.59383
   11    10 S   HC   HB11    11     1.09819   109.46519   -49.89575
   12    10 S   HC   HB12    12     1.09825   110.35891    66.71119
   13    10 S   CT   _CG1    13     1.52983   112.62347  -170.99080
   14    13 S   HC   HG11    14     1.09543   110.38593   -61.20851
   15    13 S   HC   HG12    15     1.09638   110.07873    57.95113
   16    13 S   C    _CD1    16     1.51783   112.31274   178.29039
   17    16 S   O    _OE1    17     1.22715   123.25519    -7.62753
   18    16 S   N    _N2_    18     1.38588   111.59059   172.78613
   19    18 S   H    _HN2    19     1.01597   119.03935     1.23385
   20    18 S   CT1  _CA2    20     1.46234   123.48258  -178.37418
   21    20 S   HC   _HA2    21     1.09729   109.43637   -10.10803
   22    20 S   C    _C2_    22     1.53418   108.52067  -125.86836
   23    22 S   O    _O2_    23     1.23022   122.19681  -146.86591
   24    20 S   CT   _CB2    32     1.53352   111.07688   111.93245
   25    24 S   HC   HB21    33     1.09488   109.56882    55.02430
   26    24 S   HC   HB22    34     1.09509   110.78317   173.69839
   27    22 S   N    _N3_    24     1.38493   113.41992    40.61412
   28    27 S   H    _HN3    25     1.01522   118.90370    -0.81277
   29    24 S   S    _SG2    35     1.82730   111.54830   -66.88080
   30    27 S   CT   _CA3    26     1.45463   123.54959   175.04239
   31    30 S   HC   HA31    27     1.09516   109.34090    22.13867
   32    30 S   HC   HA32    28     1.09498   107.08933   139.16854
   33    29 S   CT   _C17    36     1.83057    99.56286   159.08824
   34    33 S   HC   _H3_    37     1.09683   110.65446    30.63849
   35    30 S   CO3  _C3_    29     1.52925   113.07272  -101.40879
   36    35 S   O2Z  _O31    30     1.26406   115.40078   -44.08243
   37    35 S   O2Z  _O32    31     1.26355   114.98446   136.83912
   38    33 S   CM   _C13    38     1.52157   110.26638   150.75327
   39    38 S   CMA  _C11    39     1.36033   121.69246   102.80285
   40    39 S   OM   _O17    40     1.26061   132.03230   176.90193
   41    38 S   CT   _C19    51     1.54499   113.84684   -81.43013
   42    41 S   HC   _H34    52     1.10136   106.87197    18.33110
   43    39 S   CM   _C10    41     1.46372   118.60228    -2.39825
   44    43 S   HC   _H26    42     1.09113   118.21082  -168.97859
   45    41 S   CA   _C9_    53     1.53121   115.00084   132.44140
   46    41 S   CM   _C16    64     1.51750   110.38831   -96.01432
   47    46 S   HC   _H29    65     1.08821   117.61402   -58.35896
   48    43 S   CM   _C12    43     1.33953   124.80312    12.29507
   49    45 S   CA   _C7_    54     1.40487   123.02541   103.42970
   50    49 S   HA   _H24    55     1.08653   120.98430    -0.70582
   51    46 S   CM   _C15    66     1.33920   124.33491   120.42863
   52    51 S   HC   _H27    67     1.08467   120.40141  -179.38674
   53    51 S   HC   _H28    68     1.08439   121.67118     0.67464
   54    33 S   CO4  _C14    44     1.52198   107.20441   -85.77432
   55    54 S   O    _O18    45     1.23109   121.71471    84.33588
   56    48 S   OS   _O19    46     1.38005   121.53306   176.09355
   57    49 S   CA   _C5_    56     1.39778   120.94833  -179.89913
   58    57 S   HA   _H22    57     1.08626   119.79897   179.71607
   59    56 S   CT   _C18    47     1.42611   111.49036   117.70156
   60    59 S   HC   _H31    48     1.09398   107.83769  -170.70845
   61    59 S   HC   _H32    49     1.09406   111.29351    71.16029
   62    59 S   HC   _H33    50     1.09582   111.25533   -52.31609
   63    57 S   CA   _C4_    58     1.39201   120.21669     0.01978
   64    63 S   HA   _H21    59     1.08583   120.10921   179.87805
   65    63 S   CA   _C6_    60     1.39153   119.75878     0.06853
   66    65 S   HA   _H23    61     1.08614   120.04608   179.88465
   67    45 S   CA   _C8_    62     1.40659   119.08068   -76.33493
   68    67 S   HA   _H25    63     1.08657   120.36784    -0.33688
  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   8   5   4   3
  13   6   2   1   1  15  10   4  15   6   6   3  12   6   3   7
   8   4   2   1   1   3   1   4   6   3   3   2   1   1   5   3
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    54    55    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    48    54    55    56    41    42    45    46  
   38    39    48    54    55    41  
   36    37  
   37  
    0  
   39    40    43    44    48    54    55    41    42    45    49    67    46    47    51  
   40    43    44    48    54    56    41    42    45    46  
   43    44    48    41  
   42    45    49    50    57    65    67    68    46    47    51    52    53    43    54  
   45    49    67    46    47    51  
   44    48    54    55    56    59  
   48    54    56  
   49    50    57    58    63    65    66    67    68    46    47    51  
   47    51    52    53    49    67  
   51    52    53  
   54    55    56    59    60    61    62  
   50    57    58    63    64    65    67    68  
   57    58    63    67  
   52    53  
   53  
    0  
   55    56    59  
   56  
   59    60    61    62  
   58    63    64    65    66    67  
   63    64    65  
   60    61    62  
   61    62  
   62  
    0  
   64    65    66    67    68  
   65    66    67  
   66    67    68  
   67    68  
   68  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    54   317.000  1.522
   38    39   465.000  1.376
   38    41   317.000  1.510
   39    40   745.000  1.250
   39    43   465.000  1.376
   43    44   340.000  1.080
   43    48   549.000  1.340
   48    54   320.000  1.462
   48    56   440.000  1.360
   54    55   570.000  1.229
   56    59   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   41    42   340.000  1.090
   41    45   317.000  1.510
   41    46   317.000  1.510
   45    49   469.000  1.400
   45    67   469.000  1.400
   49    50   367.000  1.080
   49    57   469.000  1.400
   57    58   367.000  1.080
   57    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   367.000  1.080
   46    47   340.000  1.080
   46    51   549.000  1.340
   51    52   340.000  1.080
   51    53   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    54    75.00000  110.18000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    54    48    65.00000  118.62400
   33    54    55    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    43    70.00000  123.01800
   38    41    42    35.00000  109.50000
   38    41    45    70.00000  112.99600
   38    41    46    70.00000  110.12100
   39    43    44    40.00000  120.50800
   39    43    48    70.00000  117.34000
   43    39    40    65.00000  137.10300
   43    48    54    65.00000  118.96000
   43    48    56    80.00000  120.01400
   48    43    44    35.00000  120.00000
   48    54    55    80.00000  123.72100
   48    56    59    90.00000  111.18400
   54    33    34    35.00000  109.50000
   54    33    38    70.00000  109.06800
   56    48    54    85.00000  116.28000
   56    59    60    35.00000  109.50000
   56    59    61    35.00000  109.50000
   56    59    62    35.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   41    38    39    70.00000  124.00000
   41    45    49    70.00000  120.00000
   41    45    67    70.00000  120.00000
   41    46    47    35.00000  117.00000
   41    46    51    70.00000  124.00000
   45    41    42    35.00000  109.50000
   45    49    50    35.00000  120.00000
   45    49    57    63.00000  120.00000
   45    67    65    63.00000  120.00000
   45    67    68    35.00000  120.00000
   49    57    58    35.00000  120.00000
   49    57    63    63.00000  120.00000
   57    49    50    35.00000  120.00000
   57    63    64    35.00000  120.00000
   57    63    65    63.00000  120.00000
   63    57    58    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    67    68    35.00000  120.00000
   67    45    49    63.00000  120.00000
   67    65    66    35.00000  120.00000
   46    41    42    35.00000  109.50000
   46    41    45    70.00000  112.99600
   46    51    52    35.00000  120.00000
   46    51    53    35.00000  120.00000
   51    46    47    35.00000  120.00000
   53    51    52    35.00000  117.00000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    54    48   0.65300  1.0 1.0
   29    33    54    48  -0.03850 -1.0 2.0
   29    33    54    48   0.33900  1.0 3.0
   29    33    54    55   0.30150 -1.0 2.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    43   7.00000 -1.0 2.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    45   0.09700  1.0 1.0
   33    38    41    45   0.15600 -1.0 2.0
   33    38    41    45  -0.50800  1.0 3.0
   33    38    41    46   0.09700  1.0 1.0
   33    38    41    46   0.15600 -1.0 2.0
   33    38    41    46  -0.50800  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    54    48   0.00000  1.0 1.0
   34    33    54    55   0.00000  1.0 1.0
   38    33    54    48   0.65300  1.0 1.0
   38    33    54    48  -0.03850 -1.0 2.0
   38    33    54    48   0.33900  1.0 3.0
   38    33    54    55   0.30150 -1.0 2.0
   38    39    43    44   7.00000 -1.0 2.0
   38    39   -43    48   7.00000 -1.0 2.0
   38    41    45    49   0.18050 -1.0 2.0
   38    41    45    67   0.18050 -1.0 2.0
   38    41    46    47   0.00000  1.0 1.0
   38    41    46    51  -0.28300  1.0 1.0
   38    41    46    51   0.26700 -1.0 2.0
   38    41    46    51  -0.63300  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    45   1.44450  1.0 1.0
   39    38    41    45   0.06600 -1.0 2.0
   39    38    41    45   0.29250  1.0 3.0
   39    38    41    46  -0.28300  1.0 1.0
   39    38    41    46   0.26700 -1.0 2.0
   39    38    41    46  -0.63300  1.0 3.0
   39    43    48    54   7.00000 -1.0 2.0
   39    43    48    56   7.00000 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    48   7.00000 -1.0 2.0
   43    48   -54    33  -0.33500  1.0 1.0
   43    48   -54    33   1.06600 -1.0 2.0
   43    48   -54    33  -0.14000  1.0 3.0
   43    48    54    55   1.00000 -1.0 2.0
   43    48    56    59  -2.26850  1.0 1.0
   43    48    56    59   3.39050 -1.0 2.0
   44    43    48    54   7.00000 -1.0 2.0
   44    43    48    56   7.00000 -1.0 2.0
   48    56    59    60   0.08050  1.0 3.0
   48    56    59    61   0.08050  1.0 3.0
   48    56    59    62   0.08050  1.0 3.0
   54    33   -38    39  -0.51250  1.0 1.0
   54    33   -38    39  -0.88800 -1.0 2.0
   54    33   -38    39   0.08850  1.0 3.0
   54    33    38    41   0.17250  1.0 1.0
   54    33    38    41  -0.04100 -1.0 2.0
   54    33    38    41  -0.33850  1.0 3.0
   54    48    56    59   0.15100 -1.0 2.0
   56    48    54    33   0.32450 -1.0 2.0
   56    48    54    33   0.17400  1.0 3.0
   56    48    54    55  -0.11900  1.0 1.0
   56    48    54    55   0.76850 -1.0 2.0
   56    48    54    55   0.14100  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    43   7.00000 -1.0 2.0
   41    45    49    50   3.62500 -1.0 2.0
   41    45    49    57   3.62500 -1.0 2.0
   41    45    67    65   3.62500 -1.0 2.0
   41    45    67    68   3.62500 -1.0 2.0
   41    46    51    52   7.00000 -1.0 2.0
   41    46    51    53   7.00000 -1.0 2.0
   42    41    45    49   0.00000  1.0 1.0
   42    41    45    67   0.00000  1.0 1.0
   42    41    46    47   0.33100  1.0 3.0
   42    41    46    51   0.00000  1.0 1.0
   45    41    46    47   0.00000  1.0 1.0
   45    41    46    51   1.44450  1.0 1.0
   45    41    46    51   0.06600 -1.0 2.0
   45    41    46    51   0.29250  1.0 3.0
   45    49    57    58   3.62500 -1.0 2.0
   45    49    57    63   3.62500 -1.0 2.0
   49    45    67    65   3.62500 -1.0 2.0
   49    45    67    68   3.62500 -1.0 2.0
   49    57    63    64   3.62500 -1.0 2.0
   49    57   -63    65   3.62500 -1.0 2.0
   50    49    57    58   3.62500 -1.0 2.0
   50    49    57    63   3.62500 -1.0 2.0
   57    63    65    66   3.62500 -1.0 2.0
   57    63    65    67   3.62500 -1.0 2.0
   58    57    63    64   3.62500 -1.0 2.0
   58    57    63    65   3.62500 -1.0 2.0
   63    65   -67    45   3.62500 -1.0 2.0
   63    65    67    68   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   66    65    67    45   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   67    45    49    50   3.62500 -1.0 2.0
   67    45   -49    57   3.62500 -1.0 2.0
   46    41    45    49   0.18050 -1.0 2.0
   46    41    45    67   0.18050 -1.0 2.0
   47    46    51    52   7.00000 -1.0 2.0
   47    46    51    53   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   43    40    39    38   1.10000 -1.0 2.0
   39    44    43    48   1.10000 -1.0 2.0
   54    56    48    43   1.10000 -1.0 2.0
   33    48    54    55  10.50000 -1.0 2.0
   49    67    45    41   4.00000 -1.0 2.0
   57    50    49    45   1.10000 -1.0 2.0
   63    58    57    49   1.10000 -1.0 2.0
   65    64    63    57   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   65    68    67    45   1.10000 -1.0 2.0
   41    47    46    51  15.00000 -1.0 2.0
   52    53    51    46  15.00000 -1.0 2.0
END
