* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    136    222     409
    1     0 S   NP   _N1_     1    28.77224    95.48330   -20.68481
    2     1 S   H    _HN1     2     1.02780    81.62265   -76.49710
    3     1 S   H    _H1_     3     1.02960    92.71063    31.61967
    4     1 S   H    _H2_     4     1.02845    36.29774   147.12653
    5     1 S   CT   _CA1     5     1.50082   145.97845   165.75383
    6     5 S   HC   _HA1     6     1.09554   105.36523    47.62795
    7     5 S   CO3  _C1_     7     1.53916   112.23880   -72.98152
    8     7 S   O2Z  _O11     8     1.26368   114.99656   -45.35742
    9     7 S   O2Z  _O12     9     1.26217   114.98818   134.05451
   10     5 S   CT   _CB1    10     1.53121   107.50369   165.89167
   11    10 S   HC   HB11    11     1.09815   109.83548   -47.83951
   12    10 S   HC   HB12    12     1.09840   110.16736    68.80288
   13    10 S   CT   _CG1    13     1.53055   112.54876  -168.85599
   14    13 S   HC   HG11    14     1.09487   110.39680   -53.53495
   15    13 S   HC   HG12    15     1.09601   110.23142    65.55323
   16    13 S   C    _CD1    16     1.51752   111.93587  -174.03494
   17    16 S   O    _OE1    17     1.22742   123.06401   -16.20791
   18    16 S   N    _N2_    18     1.38595   111.79637   163.98047
   19    18 S   H    _HN2    19     1.01582   119.11807     2.95598
   20    18 S   CT1  _CA2    20     1.46289   123.33206  -174.67417
   21    20 S   HC   _HA2    21     1.09725   109.36625   -15.40222
   22    20 S   C    _C2_    22     1.53317   108.45286  -131.39335
   23    22 S   O    _O2_    23     1.23006   122.25849  -145.69206
   24    20 S   CT   _CB2    32     1.53555   111.07032   106.48533
   25    24 S   HC   HB21    33     1.09598   109.48184    56.28216
   26    24 S   HC   HB22    34     1.09498   110.82800   175.19959
   27    22 S   N    _N3_    24     1.38512   113.31612    41.66614
   28    27 S   H    _HN3    25     1.01533   118.91216    -0.50474
   29    24 S   S    _SG2    35     1.82671   111.60504   -64.75659
   30    27 S   CT   _CA3    26     1.45444   123.39444   175.10311
   31    30 S   HC   HA31    27     1.09527   109.17310    25.55863
   32    30 S   HC   HA32    28     1.09493   107.13699   142.55630
   33    29 S   CT   _C18    36     1.82359    99.30094   160.71971
   34    33 S   HC   _H3_    37     1.09199   110.01092   -41.76167
   35    33 S   HC   _H4_    38     1.09634   106.92441    73.43127
   36    30 S   CO3  _C3_    29     1.52930   113.16500   -97.87114
   37    36 S   O2Z  _O31    30     1.26398   115.42958   -43.87669
   38    36 S   O2Z  _O32    31     1.26359   114.96519   137.06756
   39    33 S   CT   _C13    39     1.54377   112.30904  -165.81568
   40    39 S   HC   _H32    40     1.09909   106.57572   -57.70152
   41    39 S   CO4  _C6_    41     1.51794   106.84959  -168.77458
   42    41 S   O    _O17    42     1.22962   121.23412    73.79644
   43    41 S   OS   _O19    43     1.35009   117.53296   -99.26839
   44    43 S   CT   _C11    44     1.43681   120.79062   -36.25957
   45    44 S   HC   _H29    45     1.09422   106.37464   -74.42173
   46    44 S   HC   _H30    46     1.09703   106.78491   172.56600
   47    44 S   CT   _C17    47     1.53943   113.49346    50.20709
   48    47 S   CT   _C10    48     1.56284   109.13884  -176.27790
   49    48 S   HC   _H27    49     1.09832   110.79171   -51.73873
   50    48 S   HC   _H28    50     1.09784   111.17315  -168.09403
   51    47 S   CM   _C9_    68     1.52919   108.28270    66.94677
   52    51 S   HC   _H26    69     1.08889   117.56281     0.16071
   53    48 S   CT   _C15    51     1.51890   111.95429    70.67009
   54    53 S   HC   _H34    52     1.09857   109.34735   -65.71457
   55    51 S   CM   _C8_    70     1.34037   125.60828   179.81869
   56    55 S   HC   _H24    71     1.08471   120.47788  -179.80617
   57    55 S   HC   _H25    72     1.08404   121.79991     0.12820
   58    53 S   CT   _C12    53     1.50925   110.00031    58.18182
   59    58 S   HC   _H31    54     1.10027   110.96050    55.00564
   60    58 S   CM   _C4_    55     1.48647    97.35518   165.04808
   61    58 S   CT   _C16    62     1.52371   110.01430   -65.38863
   62    61 S   HC   _H35    63     1.09587   110.99164   -61.85354
   63    60 S   CO4  _C5_    56     1.48990   106.08497   -33.55613
   64    63 S   O    _O16    57     1.21700   127.16712  -164.56199
   65    60 S   CM   _C7_    59     1.33391   131.20668   144.33539
   66    65 S   HC   _H22    60     1.08432   121.22328     1.24819
   67    65 S   HC   _H23    61     1.08519   121.45346  -178.81254
   68    39 S   CT   _C14    64     1.55743   115.63272    62.36120
   69    68 S   HC   _H33    65     1.09742   108.14432   -33.35836
   70    61 S   OH   _O20    66     1.42908   108.84249  -179.60783
   71    70 S   HO   _H38    67     0.97287   108.18551   -61.65781
   72    53 S   OS   _O18    58     1.42919   114.28858   175.26071
  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   7   5   4   3
  11   5   4   2   1   1  14   7   9   3   7  13   5   4  17  15
   7   6   8   4  12   6   3   1   1  14   8  10   8   4   5   2
   3   1   1   3   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    68  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    61    68    69  
   35    39    40    41    68  
   39    40    41    68  
   37    38  
   38  
    0  
   40    41    42    43    44    47    48    58    61    62    68    69    70    51  
   41    42    43    47    61    68    69  
   42    43    44    45    46    47    61    68    69  
   43    44    68  
   44    45    46    47    48    68    51  
   45    46    47    48    49    50    53    61    68    69    51    52    55  
   46    47    48    68    51  
   47    48    68    51  
   48    49    50    53    54    58    72    61    62    68    69    70    51    52    55    56    57  
   49    50    53    54    58    59    60    63    72    61    68    69    51    52    55  
   50    53    54    58    72    68    51  
   53    54    58    72    68    51  
   52    55    56    57    53    61    68    69  
   55    56    57    68  
   54    58    59    60    63    64    72    65    61    62    68    70  
   58    59    60    63    72    61  
   56    57    68  
   57  
    0  
   59    60    63    64    72    65    66    67    61    62    68    69    70    71  
   60    63    72    65    61    62    68    70  
   63    64    72    65    66    67    61    62    68    70  
   62    68    69    70    71    63    65    72  
   68    69    70    71  
   64    72    65    66    67  
   72    65  
   66    67    72  
   67  
    0  
   69    70    71  
   70  
   71  
    0  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    68   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   268.000  1.529
   47    68   268.000  1.529
   47    51   317.000  1.510
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    58   268.000  1.529
   53    72   320.000  1.410
   58    59   340.000  1.090
   58    60   317.000  1.510
   58    61   268.000  1.529
   60    63   320.000  1.462
   60    65   549.000  1.340
   63    64   570.000  1.229
   63    72   214.000  1.327
   65    66   340.000  1.080
   65    67   340.000  1.080
   61    62   340.000  1.090
   61    68   268.000  1.529
   61    70   320.000  1.410
   68    69   340.000  1.090
   70    71   553.000  0.945
   51    52   340.000  1.080
   51    55   549.000  1.340
   55    56   340.000  1.080
   55    57   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    68    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    68    47    58.35000  112.70000
   39    68    61    58.35000  112.70000
   39    68    69    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    35.00000  109.50000
   43    44    47    50.00000  109.50000
   44    47    48    58.35000  112.70000
   44    47    68    58.35000  112.70000
   44    47    51    70.00000  112.02700
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    48    49    37.50000  110.70000
   47    48    50    37.50000  110.70000
   47    48    53    58.35000  112.70000
   47    68    61    58.35000  112.70000
   47    68    69    37.50000  110.70000
   47    51    52    35.00000  117.00000
   47    51    55    70.00000  124.00000
   48    53    54    37.50000  110.70000
   48    53    58    58.35000  112.70000
   48    53    72    50.00000  109.50000
   50    48    49    33.00000  107.80000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    60    70.00000  112.02700
   53    58    61    58.35000  112.70000
   53    72    63    83.00000  116.90000
   58    53    54    37.50000  110.70000
   58    60    63    65.00000  116.34900
   58    60    65    70.00000  124.00000
   58    61    62    37.50000  110.70000
   58    61    68    58.35000  112.70000
   58    61    70    50.00000  109.50000
   60    58    59    35.00000  109.50000
   60    63    64    80.00000  123.72100
   60    63    72    90.00000  111.29400
   60    65    66    35.00000  120.00000
   60    65    67    35.00000  120.00000
   72    53    54    35.00000  109.50000
   72    53    58    50.00000  109.50000
   72    63    64    83.00000  123.40000
   65    60    63    65.00000  118.96000
   67    65    66    35.00000  117.00000
   61    58    59    37.50000  110.70000
   61    58    60    70.00000  112.02700
   61    68    69    37.50000  110.70000
   61    70    71    55.00000  108.50000
   68    39    40    37.50000  110.70000
   68    39    41    63.00000  111.10000
   68    47    48    58.35000  112.70000
   68    61    62    37.50000  110.70000
   70    61    62    35.00000  109.50000
   70    61    68    50.00000  109.50000
   51    47    48    70.00000  112.02700
   51    47    68    70.00000  112.02700
   51    55    56    35.00000  120.00000
   51    55    57    35.00000  120.00000
   55    51    52    35.00000  120.00000
   57    55    56    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    68   0.44750  1.0 1.0
   29    33    39    68  -0.17800 -1.0 2.0
   29    33    39    68   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    68    47   0.56750  1.0 1.0
   33    39    68    47  -0.07550 -1.0 2.0
   33    39    68    47   0.20000  1.0 3.0
   33    39    68    61   0.56750  1.0 1.0
   33    39    68    61  -0.07550 -1.0 2.0
   33    39    68    61   0.20000  1.0 3.0
   33    39    68    69   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    68   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    68   0.15000  1.0 3.0
   39    41    43    44   1.63150  1.0 1.0
   39    41    43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    68    47   0.15000  1.0 3.0
   40    39    68    61   0.15000  1.0 3.0
   40    39    68    69   0.15000  1.0 3.0
   41    39    68    47  -0.95700  1.0 1.0
   41    39    68    47  -0.18200 -1.0 2.0
   41    39    68    47   0.29450  1.0 3.0
   41    39    68    61  -0.95700  1.0 1.0
   41    39    68    61  -0.18200 -1.0 2.0
   41    39    68    61   0.29450  1.0 3.0
   41    39    68    69  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46   0.08050  1.0 3.0
   41    43   -44    47  -0.25900  1.0 1.0
   41    43   -44    47  -0.47000 -1.0 2.0
   41    43   -44    47   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    47    48   0.62750  1.0 1.0
   43    44    47    48  -0.30950 -1.0 2.0
   43    44    47    48   0.27300  1.0 3.0
   43    44    47    68   0.62750  1.0 1.0
   43    44    47    68  -0.30950 -1.0 2.0
   43    44    47    68   0.27300  1.0 3.0
   43    44    47    51   0.61850  1.0 1.0
   43    44    47    51  -0.22750 -1.0 2.0
   43    44    47    51   0.15300  1.0 3.0
   44    47    48    49   0.15000  1.0 3.0
   44    47    48    50   0.15000  1.0 3.0
   44    47    48    53   0.56750  1.0 1.0
   44    47    48    53  -0.07550 -1.0 2.0
   44    47    48    53   0.20000  1.0 3.0
   44    47   -68    39   0.56750  1.0 1.0
   44    47   -68    39  -0.07550 -1.0 2.0
   44    47   -68    39   0.20000  1.0 3.0
   44    47    68    61   0.56750  1.0 1.0
   44    47    68    61  -0.07550 -1.0 2.0
   44    47    68    61   0.20000  1.0 3.0
   44    47    68    69   0.15000  1.0 3.0
   44    47    51    52   0.00000  1.0 1.0
   44    47    51    55   0.09850  1.0 1.0
   44    47    51    55   0.15250 -1.0 2.0
   44    47    51    55  -0.50650  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    68   0.15000  1.0 3.0
   45    44    47    51   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    68   0.15000  1.0 3.0
   46    44    47    51   0.15000  1.0 3.0
   47    48    53    54   0.15000  1.0 3.0
   47    48    53    58   0.56750  1.0 1.0
   47    48    53    58  -0.07550 -1.0 2.0
   47    48    53    58   0.20000  1.0 3.0
   47    48    53    72   0.62750  1.0 1.0
   47    48    53    72  -0.30950 -1.0 2.0
   47    48    53    72   0.27300  1.0 3.0
   47    51    55    56   7.00000 -1.0 2.0
   47    51    55    57   7.00000 -1.0 2.0
   48    47    68    39   0.56750  1.0 1.0
   48    47    68    39  -0.07550 -1.0 2.0
   48    47    68    39   0.20000  1.0 3.0
   48    47    68    61   0.56750  1.0 1.0
   48    47    68    61  -0.07550 -1.0 2.0
   48    47    68    61   0.20000  1.0 3.0
   48    47    68    69   0.15000  1.0 3.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    55   0.09850  1.0 1.0
   48    47    51    55   0.15250 -1.0 2.0
   48    47    51    55  -0.50650  1.0 3.0
   48    53    58    59   0.15000  1.0 3.0
   48    53    58    60   0.34400  1.0 1.0
   48    53    58    60   0.09450 -1.0 2.0
   48    53    58    60   0.11100  1.0 3.0
   48    53   -58    61   0.56750  1.0 1.0
   48    53   -58    61  -0.07550 -1.0 2.0
   48    53   -58    61   0.20000  1.0 3.0
   48    53    72    63  -0.25900  1.0 1.0
   48    53    72    63  -0.47000 -1.0 2.0
   48    53    72    63   0.11750  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    58   0.15000  1.0 3.0
   49    48    53    72   0.23400  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    58   0.15000  1.0 3.0
   50    48    53    72   0.23400  1.0 3.0
   53    58   -60    63   0.09700  1.0 1.0
   53    58   -60    63   0.15600 -1.0 2.0
   53    58   -60    63  -0.50800  1.0 3.0
   53    58    60    65   0.09850  1.0 1.0
   53    58    60    65   0.15250 -1.0 2.0
   53    58    60    65  -0.50650  1.0 3.0
   53    58    61    62   0.15000  1.0 3.0
   53    58    61    68   0.56750  1.0 1.0
   53    58    61    68  -0.07550 -1.0 2.0
   53    58    61    68   0.20000  1.0 3.0
   53    58    61    70   0.86500  1.0 1.0
   53    58    61    70  -0.17500 -1.0 2.0
   53    58    61    70   0.20800  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   54    53    58    61   0.15000  1.0 3.0
   54    53    72    63   0.08050  1.0 3.0
   58    53   -72    63  -0.25900  1.0 1.0
   58    53   -72    63  -0.47000 -1.0 2.0
   58    53   -72    63   0.11750  1.0 3.0
   58    60    63    64  -0.64400  1.0 1.0
   58    60    63    64   0.26850 -1.0 2.0
   58    60   -63    72  -0.15000  1.0 1.0
   58    60   -63    72   0.89550 -1.0 2.0
   58    60   -63    72  -0.06900  1.0 3.0
   58    60    65    66   7.00000 -1.0 2.0
   58    60    65    67   7.00000 -1.0 2.0
   58    61    68    39   0.56750  1.0 1.0
   58    61    68    39  -0.07550 -1.0 2.0
   58    61    68    39   0.20000  1.0 3.0
   58    61   -68    47   0.56750  1.0 1.0
   58    61   -68    47  -0.07550 -1.0 2.0
   58    61   -68    47   0.20000  1.0 3.0
   58    61    68    69   0.15000  1.0 3.0
   58    61    70    71  -0.11600  1.0 1.0
   58    61    70    71  -0.09450 -1.0 2.0
   58    61    70    71   0.21250  1.0 3.0
   59    58    60    63   0.15000  1.0 3.0
   59    58    60    65   0.00000  1.0 1.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    68   0.15000  1.0 3.0
   59    58    61    70   0.23400  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    68   0.34400  1.0 1.0
   60    58    61    68   0.09450 -1.0 2.0
   60    58    61    68   0.11100  1.0 3.0
   60    58    61    70   1.05650  1.0 1.0
   60    58    61    70   0.15600 -1.0 2.0
   60    58    61    70   0.53150  1.0 3.0
   60    63   -72    53   2.00000 -1.0 2.0
   63    60    65    66   7.00000 -1.0 2.0
   63    60    65    67   7.00000 -1.0 2.0
   64    63    72    53   3.00000 -1.0 2.0
   72    53    58    59   0.23400  1.0 3.0
   72    53   -58    60   0.61850  1.0 1.0
   72    53   -58    60  -0.22750 -1.0 2.0
   72    53   -58    60   0.15300  1.0 3.0
   72    53    58    61   0.62750  1.0 1.0
   72    53    58    61  -0.30950 -1.0 2.0
   72    53    58    61   0.27300  1.0 3.0
   65    60    63    64   1.00000 -1.0 2.0
   65    60    63    72  -0.56150  1.0 1.0
   65    60    63    72   2.19150 -1.0 2.0
   61    58    60    63   0.09700  1.0 1.0
   61    58    60    63   0.15600 -1.0 2.0
   61    58    60    63  -0.50800  1.0 3.0
   61    58    60    65   0.09850  1.0 1.0
   61    58    60    65   0.15250 -1.0 2.0
   61    58    60    65  -0.50650  1.0 3.0
   62    61    68    39   0.15000  1.0 3.0
   62    61    68    47   0.15000  1.0 3.0
   62    61    68    69   0.15000  1.0 3.0
   62    61    70    71   0.19450  1.0 3.0
   68    39    41    42   0.30150 -1.0 2.0
   68    39   -41    43   0.36750  1.0 3.0
   68    47    48    49   0.15000  1.0 3.0
   68    47    48    50   0.15000  1.0 3.0
   68    47   -48    53   0.56750  1.0 1.0
   68    47   -48    53  -0.07550 -1.0 2.0
   68    47   -48    53   0.20000  1.0 3.0
   68    47    51    52   0.00000  1.0 1.0
   68    47    51    55   0.09850  1.0 1.0
   68    47    51    55   0.15250 -1.0 2.0
   68    47    51    55  -0.50650  1.0 3.0
   68    61    70    71  -0.11600  1.0 1.0
   68    61    70    71  -0.09450 -1.0 2.0
   68    61    70    71   0.21250  1.0 3.0
   70    61    68    39   0.86500  1.0 1.0
   70    61    68    39  -0.17500 -1.0 2.0
   70    61    68    39   0.20800  1.0 3.0
   70    61    68    47   0.86500  1.0 1.0
   70    61    68    47  -0.17500 -1.0 2.0
   70    61    68    47   0.20800  1.0 3.0
   70    61    68    69   0.23400  1.0 3.0
   51    47    48    49   0.15000  1.0 3.0
   51    47    48    50   0.15000  1.0 3.0
   51    47    48    53   0.34400  1.0 1.0
   51    47    48    53   0.09450 -1.0 2.0
   51    47    48    53   0.11100  1.0 3.0
   51    47    68    39   0.34400  1.0 1.0
   51    47    68    39   0.09450 -1.0 2.0
   51    47    68    39   0.11100  1.0 3.0
   51    47    68    61   0.34400  1.0 1.0
   51    47    68    61   0.09450 -1.0 2.0
   51    47    68    61   0.11100  1.0 3.0
   51    47    68    69   0.15000  1.0 3.0
   52    51    55    56   7.00000 -1.0 2.0
   52    51    55    57   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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   58    63    60    65   1.10000 -1.0 2.0
   60    72    63    64  10.50000 -1.0 2.0
   66    67    65    60   1.10000 -1.0 2.0
   47    52    51    55  15.00000 -1.0 2.0
   56    57    55    51  15.00000 -1.0 2.0
END
