* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    138    219     409
    1     0 S   NP   _N1_     1    28.71895    96.12901   -23.77217
    2     1 S   H    _HN1     2     1.02949    73.77752    10.35613
    3     1 S   H    _H1_     3     1.02829    35.50538   169.54784
    4     1 S   H    _H2_     4     1.02788   107.66272   -94.21927
    5     1 S   CT   _CA1     5     1.50110   135.43525   113.20213
    6     5 S   HC   _HA1     6     1.09574   105.19103    90.39387
    7     5 S   CO3  _C1_     7     1.53777   112.44879   -29.83673
    8     7 S   O2Z  _O11     8     1.26370   115.01215   -43.23016
    9     7 S   O2Z  _O12     9     1.26238   114.93821   135.87745
   10     5 S   CT   _CB1    10     1.53074   107.41714  -151.64682
   11    10 S   HC   HB11    11     1.09835   109.34881   -49.83714
   12    10 S   HC   HB12    12     1.09812   110.46498    66.76131
   13    10 S   CT   _CG1    13     1.52998   112.61349  -170.80901
   14    13 S   HC   HG11    14     1.09580   110.65139   -66.06528
   15    13 S   HC   HG12    15     1.09671   109.76781    53.16979
   16    13 S   C    _CD1    16     1.51805   112.17143   173.61527
   17    16 S   O    _OE1    17     1.22740   123.26221     7.99377
   18    16 S   N    _N2_    18     1.38646   111.71029  -172.04441
   19    18 S   H    _HN2    19     1.01584   118.96402     1.42285
   20    18 S   CT1  _CA2    20     1.46206   123.39426   177.23487
   21    20 S   HC   _HA2    21     1.09738   109.31925     4.24067
   22    20 S   C    _C2_    22     1.53593   108.79176  -111.23708
   23    22 S   O    _O2_    23     1.23068   122.25205  -149.05184
   24    20 S   CT   _CB2    32     1.53303   111.54159   126.21060
   25    24 S   HC   HB21    33     1.09536   110.02667    56.45732
   26    24 S   HC   HB22    34     1.09521   110.19889   175.48694
   27    22 S   N    _N3_    24     1.38321   113.78385    38.48401
   28    27 S   H    _HN3    25     1.01570   119.59042    -3.39632
   29    24 S   S    _SG2    35     1.82874   111.44530   -64.93712
   30    27 S   CT   _CA3    26     1.45288   123.25145   177.09081
   31    30 S   HC   HA31    27     1.09548   107.51527   -64.54730
   32    30 S   HC   HA32    28     1.09555   107.98670    51.90145
   33    29 S   CT   _C10    36     1.84633    99.56708   178.22238
   34    33 S   HC   _H3_    37     1.09837   105.84765    35.70852
   35    30 S   CO3  _C3_    29     1.52968   114.05491   173.89173
   36    35 S   O2Z  _O31    30     1.26380   116.06292    -0.69521
   37    35 S   O2Z  _O32    31     1.26425   114.41956   179.36944
   38    33 S   CM   _C4_    38     1.49879   109.61566   -78.95882
   39    38 S   HC   _H21    39     1.08856   119.21419    18.36123
   40    38 S   CMA  _C6_    40     1.34749   122.40306  -161.09223
   41    40 S   OM   _O16    41     1.26131   128.46987   176.54090
   42    40 S   CM   _C5_    42     1.49296   118.01269    -1.77531
   43    42 S   CM   _C7_    43     1.36260   119.96567    25.52820
   44    42 S   CT   _C16    69     1.51864   117.77042  -155.37981
   45    44 S   HC   _H29    70     1.09386   111.43580   141.54156
   46    44 S   HC   _H30    71     1.09613   112.56623    25.62072
   47    44 S   HC   _H31    72     1.09473   110.83113   -95.93654
   48    43 S   CT   _C11    44     1.52191   126.26501   166.14063
   49    48 S   HC   _H25    45     1.09912   106.62729  -108.53074
   50    48 S   CT   _C13    46     1.51121   112.01730   130.14853
   51    50 S   HC   _H27    47     1.10128   110.40849   -55.56714
   52    50 S   CT   _C12    48     1.52175   101.11110  -169.93028
   53    52 S   HC   _H26    49     1.09624   111.52549   -78.65296
   54    50 S   CT   _C14    57     1.51929   109.08048    65.06064
   55    54 S   HC   _H28    58     1.09598   111.08464    59.30237
   56    52 S   CO4  _C8_    50     1.51551   100.21349    35.58508
   57    56 S   O    _O17    51     1.22114   126.12710   161.29076
   58    52 S   CT   _C17    53     1.51876   113.94152   155.07261
   59    58 S   HC   _H32    54     1.09561   111.53979   -56.06907
   60    58 S   HC   _H33    55     1.09551   110.55145  -175.18232
   61    58 S   HC   _H34    56     1.09346   111.38918    65.09648
   62    54 S   CT   _C9_    59     1.53301   108.44987   -62.52674
   63    62 S   HC   _H22    60     1.09802   108.46132   177.64765
   64    62 S   HC   _H23    61     1.09996   107.23614   -69.91820
   65    54 S   OH   _O19    67     1.42226   109.71858   178.32322
   66    65 S   HO   _H38    68     0.97256   107.58282   178.03587
   67    48 S   OS   _O18    52     1.42499   118.69755     9.69619
   68    33 S   CT   _C15    62     1.57515   114.03506   155.00457
   69    68 S   CT   _C18    63     1.54975   112.63782    50.01334
   70    69 S   HC   _H35    64     1.09476   112.07170   -64.38120
   71    69 S   HC   _H36    65     1.09509   111.97487   176.64964
   72    69 S   HC   _H37    66     1.09576   111.66570    56.51754
  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   9   5   4   3
  17   7   2   1   1   9   4   9   3  12  20   5   2   1   1  15
   7  18   9  12   8  11   6   6   2   4   2   1   1   9   4   3
   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    68    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    62    68    69  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    48    54    62    63    64    68    69    70    71    72  
   38    39    40    43    62    68    69  
   36    37  
   37  
    0  
   39    40    41    42    43    62    68    69    44  
   40    41    42    68  
   41    42    43    48    68    44    45    46    47  
   42    43    44  
   43    48    49    50    67    62    68    69    44    45    46    47  
   48    49    50    51    52    56    67    54    62    63    64    68    69    70    71    72    44    45    46    47  
   45    46    47    48    68  
   46    47  
   47  
    0  
   49    50    51    52    53    56    57    67    58    54    55    62    68    69    65  
   50    51    52    56    67    54    68  
   51    52    53    56    57    67    58    59    60    61    54    55    62    63    64    68    65    66  
   52    53    56    67    58    54    55    62    65  
   53    56    57    67    58    59    60    61    54    55    62    65  
   56    57    67    58    59    60    61    54  
   55    62    63    64    68    69    65    66    56    58    67  
   62    63    64    68    65    66  
   57    67    58    59    60    61  
   67    58  
   59    60    61    67  
   60    61  
   61  
    0  
   63    64    68    69    70    71    72    65    66  
   64    68    69    65  
   68    69    65  
   66    68  
    0  
   68  
   69    70    71    72  
   70    71    72  
   71    72  
   72  
    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   2.5000   0.0300   0.060000   1.4250   1.2500   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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    68   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   549.000  1.340
   42    44   317.000  1.510
   43    48   317.000  1.510
   43    68   317.000  1.510
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    67   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    56   317.000  1.522
   52    58   268.000  1.529
   56    57   570.000  1.229
   56    67   214.000  1.327
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   54    55   340.000  1.090
   54    62   268.000  1.529
   54    65   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   268.000  1.529
   68    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   65    66   553.000  0.945
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
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    68    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    68    43    70.00000  112.02700
   33    68    62    58.35000  112.70000
   33    68    69    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  117.34000
   40    42    44    70.00000  124.00000
   42    40    41    65.00000  137.10300
   42    43    48    70.00000  124.00000
   42    43    68    70.00000  124.00000
   42    44    45    35.00000  109.50000
   42    44    46    35.00000  109.50000
   42    44    47    35.00000  109.50000
   43    48    49    35.00000  109.50000
   43    48    50    70.00000  112.02700
   43    48    67    85.00000  110.90400
   43    68    62    70.00000  112.02700
   43    68    69    70.00000  112.02700
   48    50    51    37.50000  110.70000
   48    50    52    58.35000  112.70000
   48    50    54    58.35000  112.70000
   48    67    56    83.00000  116.90000
   50    48    49    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    56    63.00000  111.10000
   50    52    58    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    62    58.35000  112.70000
   50    54    65    50.00000  109.50000
   52    50    51    37.50000  110.70000
   52    56    57    80.00000  120.40000
   52    56    67    81.00000  111.40000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    37.50000  110.70000
   56    52    53    35.00000  109.50000
   67    48    49    35.00000  109.50000
   67    48    50    50.00000  109.50000
   67    56    57    83.00000  123.40000
   58    52    53    37.50000  110.70000
   58    52    56    63.00000  111.10000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   54    62    63    37.50000  110.70000
   54    62    64    37.50000  110.70000
   54    62    68    58.35000  112.70000
   54    65    66    55.00000  108.50000
   62    54    55    37.50000  110.70000
   62    68    69    58.35000  112.70000
   64    62    63    33.00000  107.80000
   68    33    34    37.50000  110.70000
   68    33    38    70.00000  112.02700
   68    43    48    65.00000  117.92700
   68    62    63    37.50000  110.70000
   68    62    64    37.50000  110.70000
   68    69    70    37.50000  110.70000
   68    69    71    37.50000  110.70000
   68    69    72    37.50000  110.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   65    54    55    35.00000  109.50000
   65    54    62    50.00000  109.50000
   44    42    43    70.00000  124.00000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
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    68   0.01700  1.0 1.0
   24    29    33    68  -0.23550 -1.0 2.0
   24    29    33    68   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    68    43   0.56750  1.0 1.0
   29    33    68    43  -0.07550 -1.0 2.0
   29    33    68    43   0.20000  1.0 3.0
   29    33    68    62   0.44750  1.0 1.0
   29    33    68    62  -0.17800 -1.0 2.0
   29    33    68    62   0.20200  1.0 3.0
   29    33    68    69   0.44750  1.0 1.0
   29    33    68    69  -0.17800 -1.0 2.0
   29    33    68    69   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    68    69    70   0.15000  1.0 3.0
   33    68    69    71   0.15000  1.0 3.0
   33    68    69    72   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    68    43   0.15000  1.0 3.0
   34    33    68    62   0.15000  1.0 3.0
   34    33    68    69   0.15000  1.0 3.0
   38    33    68    43   0.31000  1.0 1.0
   38    33    68    43   0.14700 -1.0 2.0
   38    33    68    43   0.07550  1.0 3.0
   38    33    68    62   0.34400  1.0 1.0
   38    33    68    62   0.09450 -1.0 2.0
   38    33    68    62   0.11100  1.0 3.0
   38    33    68    69   0.34400  1.0 1.0
   38    33    68    69   0.09450 -1.0 2.0
   38    33    68    69   0.11100  1.0 3.0
   38    40   -42    43   7.00000 -1.0 2.0
   38    40    42    44   7.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    48   7.00000 -1.0 2.0
   40    42    43    68   7.00000 -1.0 2.0
   40    42    44    45   0.00000  1.0 1.0
   40    42    44    46   0.00000  1.0 1.0
   40    42    44    47   0.00000  1.0 1.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    43    48    49   0.00000  1.0 1.0
   42    43    48    50   0.09850  1.0 1.0
   42    43    48    50   0.15250 -1.0 2.0
   42    43    48    50  -0.50650  1.0 3.0
   42    43    48    67   0.39000  1.0 1.0
   42    43    48    67  -0.05800 -1.0 2.0
   42    43    48    67  -0.55150  1.0 3.0
   42    43   -68    33   0.09850  1.0 1.0
   42    43   -68    33   0.15250 -1.0 2.0
   42    43   -68    33  -0.50650  1.0 3.0
   42    43    68    62   0.09850  1.0 1.0
   42    43    68    62   0.15250 -1.0 2.0
   42    43    68    62  -0.50650  1.0 3.0
   42    43    68    69   0.09850  1.0 1.0
   42    43    68    69   0.15250 -1.0 2.0
   42    43    68    69  -0.50650  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    46   0.00000  1.0 1.0
   43    42    44    47   0.00000  1.0 1.0
   43    48    50    51   0.15000  1.0 3.0
   43    48    50    52   0.34400  1.0 1.0
   43    48    50    52   0.09450 -1.0 2.0
   43    48    50    52   0.11100  1.0 3.0
   43    48    50    54   0.34400  1.0 1.0
   43    48    50    54   0.09450 -1.0 2.0
   43    48    50    54   0.11100  1.0 3.0
   43    48    67    56  -0.82050  1.0 1.0
   43    48    67    56   0.00600 -1.0 2.0
   43    48    67    56   0.04400  1.0 3.0
   43    68    69    70   0.15000  1.0 3.0
   43    68    69    71   0.15000  1.0 3.0
   43    68    69    72   0.15000  1.0 3.0
   48    43    68    33   0.46850  1.0 1.0
   48    43    68    33   0.08550 -1.0 2.0
   48    43    68    33   0.09800  1.0 3.0
   48    43    68    62   0.46850  1.0 1.0
   48    43    68    62   0.08550 -1.0 2.0
   48    43    68    62   0.09800  1.0 3.0
   48    43    68    69   0.46850  1.0 1.0
   48    43    68    69   0.08550 -1.0 2.0
   48    43    68    69   0.09800  1.0 3.0
   48    50    52    53   0.15000  1.0 3.0
   48    50   -52    56  -0.95700  1.0 1.0
   48    50   -52    56  -0.18200 -1.0 2.0
   48    50   -52    56   0.29450  1.0 3.0
   48    50    52    58   0.56750  1.0 1.0
   48    50    52    58  -0.07550 -1.0 2.0
   48    50    52    58   0.20000  1.0 3.0
   48    50    54    55   0.15000  1.0 3.0
   48    50   -54    62   0.56750  1.0 1.0
   48    50   -54    62  -0.07550 -1.0 2.0
   48    50   -54    62   0.20000  1.0 3.0
   48    50    54    65   0.86500  1.0 1.0
   48    50    54    65  -0.17500 -1.0 2.0
   48    50    54    65   0.20800  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    54   0.15000  1.0 3.0
   49    48    67    56   0.08050  1.0 3.0
   50    48   -67    56  -0.25900  1.0 1.0
   50    48   -67    56  -0.47000 -1.0 2.0
   50    48   -67    56   0.11750  1.0 3.0
   50    52    56    57   0.30150 -1.0 2.0
   50    52   -56    67   0.36750  1.0 3.0
   50    52    58    59   0.15000  1.0 3.0
   50    52    58    60   0.15000  1.0 3.0
   50    52    58    61   0.15000  1.0 3.0
   50    54    62    63   0.15000  1.0 3.0
   50    54    62    64   0.15000  1.0 3.0
   50    54    62    68   0.56750  1.0 1.0
   50    54    62    68  -0.07550 -1.0 2.0
   50    54    62    68   0.20000  1.0 3.0
   50    54    65    66  -0.11600  1.0 1.0
   50    54    65    66  -0.09450 -1.0 2.0
   50    54    65    66   0.21250  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    56  -0.11250  1.0 3.0
   51    50    52    58   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    62   0.15000  1.0 3.0
   51    50    54    65   0.23400  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    62   0.56750  1.0 1.0
   52    50    54    62  -0.07550 -1.0 2.0
   52    50    54    62   0.20000  1.0 3.0
   52    50    54    65   0.86500  1.0 1.0
   52    50    54    65  -0.17500 -1.0 2.0
   52    50    54    65   0.20800  1.0 3.0
   52    56   -67    48   1.63150  1.0 1.0
   52    56   -67    48   2.92000 -1.0 2.0
   53    52    56    57   0.00000  1.0 1.0
   53    52    56    67   0.00000  1.0 1.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    60   0.15000  1.0 3.0
   53    52    58    61   0.15000  1.0 3.0
   56    52    58    59  -0.11250  1.0 3.0
   56    52    58    60  -0.11250  1.0 3.0
   56    52    58    61  -0.11250  1.0 3.0
   57    56    67    48   3.00000 -1.0 2.0
   67    48    50    51   0.23400  1.0 3.0
   67    48   -50    52   0.62750  1.0 1.0
   67    48   -50    52  -0.30950 -1.0 2.0
   67    48   -50    52   0.27300  1.0 3.0
   67    48    50    54   0.62750  1.0 1.0
   67    48    50    54  -0.30950 -1.0 2.0
   67    48    50    54   0.27300  1.0 3.0
   58    52    56    57   0.30150 -1.0 2.0
   58    52    56    67   0.36750  1.0 3.0
   54    50    52    53   0.15000  1.0 3.0
   54    50    52    56  -0.95700  1.0 1.0
   54    50    52    56  -0.18200 -1.0 2.0
   54    50    52    56   0.29450  1.0 3.0
   54    50    52    58   0.56750  1.0 1.0
   54    50    52    58  -0.07550 -1.0 2.0
   54    50    52    58   0.20000  1.0 3.0
   54    62    68    33   0.56750  1.0 1.0
   54    62    68    33  -0.07550 -1.0 2.0
   54    62    68    33   0.20000  1.0 3.0
   54    62   -68    43   0.34400  1.0 1.0
   54    62   -68    43   0.09450 -1.0 2.0
   54    62   -68    43   0.11100  1.0 3.0
   54    62    68    69   0.56750  1.0 1.0
   54    62    68    69  -0.07550 -1.0 2.0
   54    62    68    69   0.20000  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    64   0.15000  1.0 3.0
   55    54    62    68   0.15000  1.0 3.0
   55    54    65    66   0.19450  1.0 3.0
   62    54    65    66  -0.11600  1.0 1.0
   62    54    65    66  -0.09450 -1.0 2.0
   62    54    65    66   0.21250  1.0 3.0
   62    68    69    70   0.15000  1.0 3.0
   62    68    69    71   0.15000  1.0 3.0
   62    68    69    72   0.15000  1.0 3.0
   63    62    68    33   0.15000  1.0 3.0
   63    62    68    43   0.15000  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   64    62    68    33   0.15000  1.0 3.0
   64    62    68    43   0.15000  1.0 3.0
   64    62    68    69   0.15000  1.0 3.0
   68    33    38    39   0.00000  1.0 1.0
   68    33   -38    40   0.09850  1.0 1.0
   68    33   -38    40   0.15250 -1.0 2.0
   68    33   -38    40  -0.50650  1.0 3.0
   68    43    48    49   0.34800  1.0 3.0
   68    43   -48    50   0.46850  1.0 1.0
   68    43   -48    50   0.08550 -1.0 2.0
   68    43   -48    50   0.09800  1.0 3.0
   68    43    48    67   0.09700  1.0 1.0
   68    43    48    67   0.15600 -1.0 2.0
   68    43    48    67  -0.50800  1.0 3.0
   65    54    62    63   0.23400  1.0 3.0
   65    54    62    64   0.23400  1.0 3.0
   65    54    62    68   0.86500  1.0 1.0
   65    54    62    68  -0.17500 -1.0 2.0
   65    54    62    68   0.20800  1.0 3.0
   44    42    43    48   7.00000 -1.0 2.0
   44    42    43    68   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    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    44    42    43   1.10000 -1.0 2.0
   48    68    43    42   1.10000 -1.0 2.0
   52    67    56    57  10.50000 -1.0 2.0
END
