* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    147    239     438
    1     0 S   NP   _N1_     1    28.99138    94.41718   -19.54433
    2     1 S   H    _HN1     2     1.02854    38.59954   128.81013
    3     1 S   H    _H1_     3     1.02795    74.68812   -83.02295
    4     1 S   H    _H2_     4     1.02946    99.63095    23.39087
    5     1 S   CT   _CA1     5     1.50047   143.80717   170.25379
    6     5 S   HC   _HA1     6     1.09557   105.38317    33.33280
    7     5 S   CO3  _C1_     7     1.53947   112.13783   -87.32553
    8     7 S   O2Z  _O11     8     1.26402   115.10923   -50.46810
    9     7 S   O2Z  _O12     9     1.26208   114.96239   128.99650
   10     5 S   CT   _CB1    10     1.53119   107.52959   151.54037
   11    10 S   HC   HB11    11     1.09817   109.94072   -47.58809
   12    10 S   HC   HB12    12     1.09834   110.14020    69.02744
   13    10 S   CT   _CG1    13     1.53085   112.49264  -168.54021
   14    13 S   HC   HG11    14     1.09496   110.55805   -50.57180
   15    13 S   HC   HG12    15     1.09601   110.18557    68.44719
   16    13 S   C    _CD1    16     1.51739   111.79035  -171.18412
   17    16 S   O    _OE1    17     1.22754   123.01181   -16.37670
   18    16 S   N    _N2_    18     1.38563   111.88060   163.76120
   19    18 S   H    _HN2    19     1.01590   119.23565     2.91719
   20    18 S   CT1  _CA2    20     1.46272   123.26473  -175.15819
   21    20 S   HC   _HA2    21     1.09730   109.33382   -13.87346
   22    20 S   C    _C2_    22     1.53365   108.76086  -129.76178
   23    22 S   O    _O2_    23     1.23008   122.20755  -148.22213
   24    20 S   CT   _CB2    32     1.53618   111.00945   107.90152
   25    24 S   HC   HB21    33     1.09317   109.18917    58.34087
   26    24 S   HC   HB22    34     1.09535   110.35033   176.18269
   27    22 S   N    _N3_    24     1.38505   113.41753    39.37539
   28    27 S   H    _HN3    25     1.01520   118.90920    -0.58013
   29    24 S   S    _SG2    35     1.83680   111.08741   -65.19073
   30    27 S   CT   _CA3    26     1.45441   123.39541   175.05728
   31    30 S   HC   HA31    27     1.09526   109.18603    25.37121
   32    30 S   HC   HA32    28     1.09494   107.13116   142.37030
   33    29 S   CT   _C14    36     1.90238   103.37182   145.76827
   34    30 S   CO3  _C3_    29     1.52926   113.17050   -98.06965
   35    34 S   O2Z  _O31    30     1.26399   115.43471   -43.62054
   36    34 S   O2Z  _O32    31     1.26361   114.96683   137.34776
   37    33 S   CM   _C15    37     1.52080   106.16230    45.19125
   38    37 S   HC   _H18    38     1.09003   115.88350    50.89707
   39    33 S   CT   _C7_    70     1.62232   109.90913   166.15284
   40    37 S   CMA  _C16    39     1.35756   127.48884  -127.27527
   41    40 S   OM   _O35    40     1.26572   122.94785   178.31310
   42    40 S   OS   _O34    41     1.40194   117.37453    -0.50435
   43    42 S   CT   _C17    42     1.42567   118.73216   -17.38652
   44    43 S   HC   _H19    43     1.09133   108.81164   -77.48043
   45    43 S   HC   _H20    44     1.09613   106.43702   168.13218
   46    33 S   CT   _C13    45     1.55328   106.55403   -69.93498
   47    46 S   HC   _H5_    46     1.09864   109.21906    42.19479
   48    46 S   CT   _C12    47     1.53375   116.11047   -76.57927
   49    48 S   HC   _H16    48     1.09680   110.49398  -132.73332
   50    48 S   HC   _H17    49     1.09689   108.76102   113.21887
   51    48 S   CT   _C11    50     1.51285   115.24295    -7.61711
   52    51 S   HC   _H14    51     1.09377   112.39974    77.30924
   53    51 S   HC   _H15    52     1.09539   111.17517  -162.34872
   54    51 S   NP   _N4_    53     1.48641   111.09138   -42.89253
   55    54 S   H    _H4_    54     1.02838   105.18397   177.98909
   56    54 S   CT   _C10    55     1.52723   115.16303   -67.10417
   57    56 S   HC   _H12    56     1.09197   110.03217    24.57593
   58    56 S   HC   _H13    57     1.09399   106.78220   -94.81566
   59    56 S   CM   _C9_    58     1.48683   106.11120   145.41339
   60    59 S   HC   _H11    59     1.08087   123.45821   165.86309
   61    59 S   CM   _C8_    60     1.33731   110.78702    -6.83122
   62    61 S   CM   _C18    61     1.43872   125.33431   165.60313
   63    62 S   HC   _H21    62     1.08491   119.24808    29.03468
   64    62 S   CM   _C19    63     1.34237   120.09665  -148.21181
   65    64 S   HC   _H22    64     1.08672   119.12956  -179.71061
   66    64 S   CT   _C5_    65     1.51176   123.28229     1.16449
   67    66 S   HC   _H3_    66     1.09541   107.94083  -110.99701
   68    66 S   CT   _C6_    67     1.54569   112.13074    11.58823
   69    68 S   HC   _H9_    68     1.10262   107.19409    77.57847
   70    68 S   HC   _H10    69     1.09454   110.85001  -170.67709
   71    66 S   OS   _O33    71     1.43309   107.10634   131.72636
   72    71 S   CT   _C4_    72     1.42182   113.13564   155.18328
   73    72 S   HC   _H6_    73     1.09338   108.18687  -179.19814
   74    72 S   HC   _H7_    74     1.09325   111.02226    61.99092
   75    72 S   HC   _H8_    75     1.09420   110.51916   -60.61932
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  25   2   1   1  12   5  25   6   2   6   8   4   3  10   4   8
   5   4  10   4   3  12   6   7   4   3   6   2   8   7   3   8
   4   9   5   4   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    46    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    43    46    47    48    54    61    68    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    42    43    44    45    46    47    48    49    50    51    54    55    56    59    61    62    66    68    69    70    39  
   35    36  
   36  
    0  
   38    40    41    42    43    46    47    48    54    61    68    39  
   40    41    42    46    39  
   71    40    43    46    47    48    51    52    53    54    55    56    57    58    59    60    61    62    63    64    66    67    68    69    70  
   41    42    43    44    45    46  
   42    43  
   43    44    45    46    47    48  
   44    45    46    47    48    49    50    51  
   45    46    47    48  
   46    47    48  
   47    48    49    50    51    52    53    54    61    68  
   48    49    50    51  
   49    50    51    52    53    54    55    56  
   50    51    52    53    54  
   51    52    53    54  
   52    53    54    55    56    57    58    59    61    68  
   53    54    55    56  
   54    55    56  
   55    56    57    58    59    60    61    62    66    68    69    70  
   56    57    58    59    61    68  
   57    58    59    60    61    62    68  
   58    59    60    61  
   59    60    61  
   60    61    62    63    64    68  
   61    62  
   62    63    64    65    66    68    69    70  
   63    64    65    66    67    68    71  
   64    65    66  
   65    66    67    68    69    70    71    72  
   66    67    68    71  
   67    68    69    70    71    72    73    74    75  
   68    69    70    71    72  
   69    70    71    72  
   70    71  
   71  
   72    73    74    75  
   73    74    75  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.270000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   55   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    46   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    40   465.000  1.376
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   367.000  1.471
   54    55   434.000  1.010
   54    56   367.000  1.471
   54    39   367.000  1.471
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   317.000  1.510
   59    60   340.000  1.080
   59    61   549.000  1.340
   61    62   380.000  1.444
   61    39   317.000  1.510
   62    63   340.000  1.080
   62    64   549.000  1.340
   64    65   340.000  1.080
   64    66   317.000  1.510
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    71   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    39   268.000  1.529
   71    72   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    46    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    46    43    58.35000  112.70000
   33    46    47    37.50000  110.70000
   33    46    48    58.35000  112.70000
   33    39    54    80.00000  111.20000
   33    39    61    70.00000  112.02700
   33    39    68    58.35000  112.70000
   37    40    41    65.00000  137.10300
   37    40    42    80.00000  120.01400
   40    37    38    40.00000  120.50800
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    35.00000  109.50000
   42    43    46    50.00000  109.50000
   43    46    47    37.50000  110.70000
   43    46    48    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    33    37    70.00000  112.02700
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    51    58.35000  112.70000
   48    46    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    80.00000  111.20000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    54    55    35.00000  109.50000
   51    54    56    75.00000  113.01200
   51    54    39    75.00000  113.01200
   53    51    52    33.00000  107.80000
   54    51    52    35.00000  109.50000
   54    51    53    35.00000  109.50000
   54    56    57    35.00000  109.50000
   54    56    58    35.00000  109.50000
   54    56    59    75.00000  110.06800
   54    39    61    75.00000  110.06800
   54    39    68    80.00000  111.20000
   56    54    55    35.00000  109.50000
   56    59    60    35.00000  117.00000
   56    59    61    70.00000  124.00000
   58    56    57    33.00000  107.80000
   59    56    57    35.00000  109.50000
   59    56    58    35.00000  109.50000
   59    61    62    70.00000  123.01800
   59    61    39    70.00000  124.00000
   61    59    60    35.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    64    70.00000  123.01800
   61    39    68    70.00000  112.02700
   62    64    65    35.00000  120.00000
   62    64    66    70.00000  124.00000
   64    62    63    35.00000  120.00000
   64    66    67    35.00000  109.50000
   64    66    68    70.00000  112.02700
   64    66    71    85.00000  110.90400
   66    64    65    35.00000  117.00000
   66    68    69    37.50000  110.70000
   66    68    70    37.50000  110.70000
   66    68    39    58.35000  112.70000
   66    71    72    60.00000  109.50000
   68    66    67    37.50000  110.70000
   70    68    69    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    46    58.35000  112.70000
   39    54    55    35.00000  109.50000
   39    54    56    75.00000  113.01200
   39    61    62    70.00000  124.00000
   39    68    69    37.50000  110.70000
   39    68    70    37.50000  110.70000
   71    66    67    35.00000  109.50000
   71    66    68    50.00000  109.50000
   71    72    73    35.00000  109.50000
   71    72    74    35.00000  109.50000
   71    72    75    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    46    43   0.44750  1.0 1.0
   29    33    46    43  -0.17800 -1.0 2.0
   29    33    46    43   0.20200  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    48   0.44750  1.0 1.0
   29    33    46    48  -0.17800 -1.0 2.0
   29    33    46    48   0.20200  1.0 3.0
   29    33    39    54   0.56750  1.0 1.0
   29    33    39    54  -0.07550 -1.0 2.0
   29    33    39    54   0.20000  1.0 3.0
   29    33    39    61   0.56750  1.0 1.0
   29    33    39    61  -0.07550 -1.0 2.0
   29    33    39    61   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    37    40    41   7.00000 -1.0 2.0
   33    37    40    42   7.00000 -1.0 2.0
   33    46    48    49   0.15000  1.0 3.0
   33    46    48    50   0.15000  1.0 3.0
   33    46    48    51   0.56750  1.0 1.0
   33    46    48    51  -0.07550 -1.0 2.0
   33    46    48    51   0.20000  1.0 3.0
   37    33    46    43   0.34400  1.0 1.0
   37    33    46    43   0.09450 -1.0 2.0
   37    33    46    43   0.11100  1.0 3.0
   37    33    46    47   0.15000  1.0 3.0
   37    33    46    48   0.34400  1.0 1.0
   37    33    46    48   0.09450 -1.0 2.0
   37    33    46    48   0.11100  1.0 3.0
   37    33    39    54  -0.47300  1.0 1.0
   37    33    39    54   0.29700 -1.0 2.0
   37    33    39    54   0.83300  1.0 3.0
   37    33    39    61   0.31000  1.0 1.0
   37    33    39    61   0.14700 -1.0 2.0
   37    33    39    61   0.07550  1.0 3.0
   37    33    39    68   0.34400  1.0 1.0
   37    33    39    68   0.09450 -1.0 2.0
   37    33    39    68   0.11100  1.0 3.0
   37    40   -42    43  -2.26850  1.0 1.0
   37    40   -42    43   3.39050 -1.0 2.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    42   7.00000 -1.0 2.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45   0.08050  1.0 3.0
   40    42    43    46  -0.46850  1.0 1.0
   40    42    43    46   0.09300 -1.0 2.0
   40    42    43    46  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43   -46    33   0.62750  1.0 1.0
   42    43   -46    33  -0.30950 -1.0 2.0
   42    43   -46    33   0.27300  1.0 3.0
   42    43    46    47   0.23400  1.0 3.0
   42    43    46    48   0.62750  1.0 1.0
   42    43    46    48  -0.30950 -1.0 2.0
   42    43    46    48   0.27300  1.0 3.0
   43    46    48    49   0.15000  1.0 3.0
   43    46    48    50   0.15000  1.0 3.0
   43    46    48    51   0.56750  1.0 1.0
   43    46    48    51  -0.07550 -1.0 2.0
   43    46    48    51   0.20000  1.0 3.0
   44    43    46    33   0.15000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   45    43    46    33   0.15000  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    48   0.15000  1.0 3.0
   46    33    37    38   0.00000  1.0 1.0
   46    33   -37    40   0.09850  1.0 1.0
   46    33   -37    40   0.15250 -1.0 2.0
   46    33   -37    40  -0.50650  1.0 3.0
   46    33    39    54   1.36600  1.0 1.0
   46    33    39    54  -0.11450 -1.0 2.0
   46    33    39    54   0.24250  1.0 3.0
   46    33    39    61   0.34400  1.0 1.0
   46    33    39    61   0.09450 -1.0 2.0
   46    33    39    61   0.11100  1.0 3.0
   46    33    39    68   0.56750  1.0 1.0
   46    33    39    68  -0.07550 -1.0 2.0
   46    33    39    68   0.20000  1.0 3.0
   46    48    51    52   0.15000  1.0 3.0
   46    48    51    53   0.15000  1.0 3.0
   46    48   -51    54   1.36600  1.0 1.0
   46    48   -51    54  -0.11450 -1.0 2.0
   46    48   -51    54   0.24250  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   48    51    54    55   0.17350  1.0 3.0
   48    51    54    56   0.47100  1.0 1.0
   48    51    54    39   0.47100  1.0 1.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    54   0.19200  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   50    48    51    54   0.19200  1.0 3.0
   51    54    56    57   0.15000  1.0 3.0
   51    54    56    58   0.15000  1.0 3.0
   51    54    56    59   0.08000 -1.0 2.0
   51    54   -39    33   0.47100  1.0 1.0
   51    54    39    61   0.08000 -1.0 2.0
   51    54    39    68   0.47100  1.0 1.0
   52    51    54    55   0.13050  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    39   0.15000  1.0 3.0
   53    51    54    55   0.13050  1.0 3.0
   53    51    54    56   0.15000  1.0 3.0
   53    51    54    39   0.15000  1.0 3.0
   54    56    59    60   0.00000  1.0 1.0
   54    56   -59    61   0.80850  1.0 1.0
   54    56   -59    61  -0.47300 -1.0 2.0
   54    56   -59    61  -0.52300  1.0 3.0
   55    54    56    57   0.13050  1.0 3.0
   55    54    56    58   0.13050  1.0 3.0
   55    54    56    59   0.17350  1.0 3.0
   55    54    39    33   0.17350  1.0 3.0
   55    54    39    61   0.17350  1.0 3.0
   55    54    39    68   0.17350  1.0 3.0
   56    54    39    33   0.47100  1.0 1.0
   56    54   -39    61   0.08000 -1.0 2.0
   56    54    39    68   0.47100  1.0 1.0
   56    59    61    62   7.00000 -1.0 2.0
   56    59   -61    39   7.00000 -1.0 2.0
   57    56    59    60   0.33100  1.0 3.0
   57    56    59    61   0.00000  1.0 1.0
   58    56    59    60   0.33100  1.0 3.0
   58    56    59    61   0.00000  1.0 1.0
   59    61    62    63  -0.18600  1.0 3.0
   59    61    62    64   0.28850  1.0 1.0
   59    61    62    64   2.61350 -1.0 2.0
   59    61    62    64   0.78400  1.0 3.0
   59    61    39    33   0.09850  1.0 1.0
   59    61    39    33   0.15250 -1.0 2.0
   59    61    39    33  -0.50650  1.0 3.0
   59    61   -39    54   0.80850  1.0 1.0
   59    61   -39    54  -0.47300 -1.0 2.0
   59    61   -39    54  -0.52300  1.0 3.0
   59    61    39    68   0.09850  1.0 1.0
   59    61    39    68   0.15250 -1.0 2.0
   59    61    39    68  -0.50650  1.0 3.0
   60    59    61    62   7.00000 -1.0 2.0
   60    59    61    39   7.00000 -1.0 2.0
   61    62    64    65   7.00000 -1.0 2.0
   61    62    64    66   7.00000 -1.0 2.0
   62    61    39    33   0.98200  1.0 1.0
   62    61    39    33  -0.11900 -1.0 2.0
   62    61    39    33   0.24250  1.0 3.0
   62    61    39    54   0.80850  1.0 1.0
   62    61    39    54  -0.47300 -1.0 2.0
   62    61    39    54  -0.52300  1.0 3.0
   62    61    39    68   0.98200  1.0 1.0
   62    61    39    68  -0.11900 -1.0 2.0
   62    61    39    68   0.24250  1.0 3.0
   62    64    66    67   0.00000  1.0 1.0
   62    64   -66    68   0.09850  1.0 1.0
   62    64   -66    68   0.15250 -1.0 2.0
   62    64   -66    68  -0.50650  1.0 3.0
   62    64    66    71   0.39000  1.0 1.0
   62    64    66    71  -0.05800 -1.0 2.0
   62    64    66    71  -0.55150  1.0 3.0
   63    62    64    65   7.00000 -1.0 2.0
   63    62    64    66   7.00000 -1.0 2.0
   64    66    68    69   0.15000  1.0 3.0
   64    66    68    70   0.15000  1.0 3.0
   64    66    68    39   0.34400  1.0 1.0
   64    66    68    39   0.09450 -1.0 2.0
   64    66    68    39   0.11100  1.0 3.0
   64    66    71    72  -0.77900  1.0 1.0
   64    66    71    72  -0.36900 -1.0 2.0
   64    66    71    72   0.40400  1.0 3.0
   65    64    66    67   0.33100  1.0 3.0
   65    64    66    68   0.00000  1.0 1.0
   65    64    66    71   0.00000  1.0 1.0
   66    68    39    33   0.56750  1.0 1.0
   66    68    39    33  -0.07550 -1.0 2.0
   66    68    39    33   0.20000  1.0 3.0
   66    68    39    54   1.36600  1.0 1.0
   66    68    39    54  -0.11450 -1.0 2.0
   66    68    39    54   0.24250  1.0 3.0
   66    68   -39    61   0.34400  1.0 1.0
   66    68   -39    61   0.09450 -1.0 2.0
   66    68   -39    61   0.11100  1.0 3.0
   66    71    72    73   0.37050  1.0 3.0
   66    71    72    74   0.37050  1.0 3.0
   66    71    72    75   0.37050  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    39   0.15000  1.0 3.0
   67    66    71    72   0.37050  1.0 3.0
   68    66    71    72   0.06250  1.0 1.0
   68    66    71    72  -0.01100 -1.0 2.0
   68    66    71    72   0.28050  1.0 3.0
   69    68    39    33   0.15000  1.0 3.0
   69    68    39    54   0.19200  1.0 3.0
   69    68    39    61   0.15000  1.0 3.0
   70    68    39    33   0.15000  1.0 3.0
   70    68    39    54   0.19200  1.0 3.0
   70    68    39    61   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.09850  1.0 1.0
   39    33    37    40   0.15250 -1.0 2.0
   39    33    37    40  -0.50650  1.0 3.0
   39    33    46    43   0.56750  1.0 1.0
   39    33    46    43  -0.07550 -1.0 2.0
   39    33    46    43   0.20000  1.0 3.0
   39    33    46    47   0.15000  1.0 3.0
   39    33   -46    48   0.56750  1.0 1.0
   39    33   -46    48  -0.07550 -1.0 2.0
   39    33   -46    48   0.20000  1.0 3.0
   39    54    56    57   0.15000  1.0 3.0
   39    54    56    58   0.15000  1.0 3.0
   39    54   -56    59   0.08000 -1.0 2.0
   39    61    62    63   0.00000  1.0 1.0
   39    61   -62    64  -0.18600  1.0 3.0
   71    66    68    69   0.23400  1.0 3.0
   71    66    68    70   0.23400  1.0 3.0
   71    66    68    39   0.62750  1.0 1.0
   71    66    68    39  -0.30950 -1.0 2.0
   71    66    68    39   0.27300  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    40   1.10000 -1.0 2.0
   41    42    40    37   1.10000 -1.0 2.0
   56    60    59    61   1.10000 -1.0 2.0
   62    39    61    59   1.10000 -1.0 2.0
   61    63    62    64   1.10000 -1.0 2.0
   66    65    64    62   1.10000 -1.0 2.0
END
