* LIGAND DATABASE FILE (OPLS2005)
*
001      69    69    127    188     371
    1     0 S   NP   _N1_     1    28.78876    94.11519   -21.57289
    2     1 S   H    _HN1     2     1.02777    89.70888   -84.62544
    3     1 S   H    _H1_     3     1.02962    94.50460    23.74447
    4     1 S   H    _H2_     4     1.02836    27.44372   142.79835
    5     1 S   CT   _CA1     5     1.50126   137.97766   151.30311
    6     5 S   HC   _HA1     6     1.09561   105.28199    55.05230
    7     5 S   CO3  _C1_     7     1.53850   112.30846   -65.34604
    8     7 S   O2Z  _O11     8     1.26374   114.98920   -43.05247
    9     7 S   O2Z  _O12     9     1.26231   114.95330   136.10570
   10     5 S   CT   _CB1    10     1.53073   107.43438   173.17481
   11    10 S   HC   HB11    11     1.09821   109.59202   -48.50534
   12    10 S   HC   HB12    12     1.09833   110.27514    68.10036
   13    10 S   CT   _CG1    13     1.53030   112.67608  -169.56040
   14    13 S   HC   HG11    14     1.09570   110.39149   -58.72063
   15    13 S   HC   HG12    15     1.09617   110.17916    60.51520
   16    13 S   C    _CD1    16     1.51791   112.02065  -179.15050
   17    16 S   O    _OE1    17     1.22741   123.14478   -10.45745
   18    16 S   N    _N2_    18     1.38603   111.73725   169.65480
   19    18 S   H    _HN2    19     1.01579   119.12607     2.45663
   20    18 S   CT1  _CA2    20     1.46343   123.31579  -175.11048
   21    20 S   HC   _HA2    21     1.09729   109.33732   -13.05318
   22    20 S   C    _C2_    22     1.53341   108.65212  -128.96547
   23    22 S   O    _O2_    23     1.23008   122.26169  -147.28549
   24    20 S   CT   _CB2    32     1.53534   111.01413   108.69893
   25    24 S   HC   HB21    33     1.09568   109.27515    57.10889
   26    24 S   HC   HB22    34     1.09489   110.84962   175.97445
   27    22 S   N    _N3_    24     1.38527   113.37334    40.25138
   28    27 S   H    _HN3    25     1.01523   118.86718    -0.65730
   29    24 S   S    _SG2    35     1.82893   111.16782   -64.00219
   30    27 S   CT   _CA3    26     1.45436   123.40943   175.03272
   31    30 S   HC   HA31    27     1.09527   109.18764    25.42729
   32    30 S   HC   HA32    28     1.09494   107.13713   142.42299
   33    29 S   CT   _C16    36     1.84388    99.94146   157.11662
   34    33 S   HC   _H3_    37     1.09058   106.11744   -32.13580
   35    30 S   CO3  _C3_    29     1.52925   113.14133   -98.01398
   36    35 S   O2Z  _O31    30     1.26401   115.41493   -44.33490
   37    35 S   O2Z  _O32    31     1.26358   114.97775   136.61641
   38    33 S   CM   _C6_    38     1.51811   107.91263    82.52962
   39    38 S   HC   _H17    39     1.08742   116.48043    47.21568
   40    33 S   CT   _C10    46     1.57521   114.10146  -150.93599
   41    40 S   HC   _H22    47     1.10157   105.36590  -164.68829
   42    38 S   CMA  _C7_    40     1.35224   125.18253  -131.82509
   43    42 S   OM   _O14    41     1.26158   131.46930    -0.86841
   44    40 S   CM   _C5_    48     1.53514   114.05182   -48.62816
   45    42 S   CT   _C13    42     1.51845   117.31905   179.42223
   46    45 S   HC   _H26    43     1.09765   111.21449   119.50370
   47    45 S   HC   _H27    44     1.09666   112.35003     0.00000
   48    45 S   HC   _H28    45     1.09763   111.18793  -119.46309
   49    44 S   CM   _C4_    49     1.34617   122.21951   109.48974
   50    49 S   HC   _H16    50     1.08762   119.43106   178.63141
   51    44 S   CT   _C12    66     1.50389   117.96061   -73.87520
   52    51 S   HC   _H23    67     1.09465   110.77203   -40.34307
   53    51 S   HC   _H24    68     1.09584   111.75461  -159.37562
   54    51 S   HC   _H25    69     1.09244   110.95848    80.96489
   55    49 S   CT   _C8_    51     1.49727   125.04130     0.57675
   56    55 S   HC   _H18    52     1.09700   107.83682   116.56162
   57    55 S   HC   _H19    53     1.09627   109.38483  -128.11777
   58    55 S   CT   _C9_    54     1.52741   114.67428    -5.17544
   59    58 S   HC   _H20    55     1.09802   108.70817   155.87304
   60    58 S   HC   _H21    56     1.09516   108.89172   -90.26079
   61    40 S   CT   _C11    57     1.58902   115.20649    80.95257
   62    61 S   CT   _C14    58     1.55410   109.03909   156.34426
   63    62 S   HC   _H29    59     1.09629   110.75207   -63.58671
   64    62 S   HC   _H30    60     1.09629   111.01729   177.13590
   65    62 S   HC   _H31    61     1.09395   112.91326    56.68917
   66    61 S   CT   _C15    62     1.54314   113.21104    38.58457
   67    66 S   HC   _H32    63     1.09552   111.16022    50.54021
   68    66 S   HC   _H33    64     1.09499   112.06501   -71.15856
   69    66 S   HC   _H34    65     1.09665   111.03066   170.13090
  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
  15   7   2   1   1  11   4  22   7   5   4  13   3   2   1   1
  12   5   5   2   1   1   8   5   4  11   4   3   8   7   3   2
   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44    61  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    45    40    41    44    49    58    61    62    66    51  
   38    39    42    40    41    44    61  
   36    37  
   37  
    0  
   39    42    43    45    46    47    48    40    41    44    61  
   42    43    45    40  
   41    44    49    50    55    58    59    60    61    62    63    64    65    66    67    68    69    51    52    53    54    42  
   44    49    58    61    62    66    51  
   43    45    46    47    48  
   45    46    47    48  
   49    50    55    56    57    58    61    62    66    51    52    53    54  
   46    47    48  
   47    48  
   48  
    0  
   50    55    56    57    58    59    60    61    51    52    53    54  
   55    56    57    58    51  
   52    53    54    55    61  
   53    54  
   54  
    0  
   56    57    58    59    60    61    62    66  
   57    58    59    60    61  
   58    59    60    61  
   59    60    61    62    63    64    65    66    67    68    69  
   60    61    62    66  
   61    62    66  
   62    63    64    65    66    67    68    69  
   63    64    65    66    67    68    69  
   64    65    66  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   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    40   268.000  1.529
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    45   270.000  1.512
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   40    41   340.000  1.090
   40    44   317.000  1.510
   40    61   268.000  1.529
   44    49   549.000  1.340
   44    51   317.000  1.510
   49    50   340.000  1.080
   49    55   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   268.000  1.529
   61    66   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    44    70.00000  112.02700
   33    40    61    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    45    65.00000  122.18000
   42    38    39    40.00000  120.50800
   42    45    46    45.00000  110.52000
   42    45    47    45.00000  110.52000
   42    45    48    45.00000  110.52000
   45    42    43    85.00000  112.85300
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    44    49    70.00000  124.00000
   40    44    51    65.00000  117.92700
   40    61    58    58.35000  112.70000
   40    61    62    58.35000  112.70000
   40    61    66    58.35000  112.70000
   44    40    41    35.00000  109.50000
   44    49    50    35.00000  120.00000
   44    49    55    70.00000  124.00000
   44    51    52    35.00000  109.50000
   44    51    53    35.00000  109.50000
   44    51    54    35.00000  109.50000
   49    55    56    35.00000  109.50000
   49    55    57    35.00000  109.50000
   49    55    58    70.00000  112.02700
   55    49    50    35.00000  117.00000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    61    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    61    62    58.35000  112.70000
   58    61    66    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    40    41    37.50000  110.70000
   61    40    44    70.00000  112.02700
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    62    63    37.50000  110.70000
   61    62    64    37.50000  110.70000
   61    62    65    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    69    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    61    62    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   51    44    49    70.00000  124.00000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   29    33    40    61   0.44750  1.0 1.0
   29    33    40    61  -0.17800 -1.0 2.0
   29    33    40    61   0.20200  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    45   7.00000 -1.0 2.0
   33    40    44    49   0.09850  1.0 1.0
   33    40    44    49   0.15250 -1.0 2.0
   33    40    44    49  -0.50650  1.0 3.0
   33    40    44    51   0.46850  1.0 1.0
   33    40    44    51   0.08550 -1.0 2.0
   33    40    44    51   0.09800  1.0 3.0
   33    40    61    58   0.56750  1.0 1.0
   33    40    61    58  -0.07550 -1.0 2.0
   33    40    61    58   0.20000  1.0 3.0
   33    40    61    62   0.56750  1.0 1.0
   33    40    61    62  -0.07550 -1.0 2.0
   33    40    61    62   0.20000  1.0 3.0
   33    40    61    66   0.56750  1.0 1.0
   33    40    61    66  -0.07550 -1.0 2.0
   33    40    61    66   0.20000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   34    33    40    61   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.31000  1.0 1.0
   38    33    40    44   0.14700 -1.0 2.0
   38    33    40    44   0.07550  1.0 3.0
   38    33    40    61   0.34400  1.0 1.0
   38    33    40    61   0.09450 -1.0 2.0
   38    33    40    61   0.11100  1.0 3.0
   38    42    45    46   0.00000  1.0 1.0
   38    42    45    47   0.00000  1.0 1.0
   38    42    45    48   0.00000  1.0 1.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    45   7.00000 -1.0 2.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    47   0.00000  1.0 1.0
   43    42    45    48   0.00000  1.0 1.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   40    44    49    50   7.00000 -1.0 2.0
   40    44    49    55   7.00000 -1.0 2.0
   40    44    51    52   0.34800  1.0 3.0
   40    44    51    53   0.34800  1.0 3.0
   40    44    51    54   0.34800  1.0 3.0
   40    61    62    63   0.15000  1.0 3.0
   40    61    62    64   0.15000  1.0 3.0
   40    61    62    65   0.15000  1.0 3.0
   40    61    66    67   0.15000  1.0 3.0
   40    61    66    68   0.15000  1.0 3.0
   40    61    66    69   0.15000  1.0 3.0
   41    40    44    49   0.00000  1.0 1.0
   41    40    44    51   0.34800  1.0 3.0
   41    40    61    58   0.15000  1.0 3.0
   41    40    61    62   0.15000  1.0 3.0
   41    40    61    66   0.15000  1.0 3.0
   44    40    61    58   0.34400  1.0 1.0
   44    40    61    58   0.09450 -1.0 2.0
   44    40    61    58   0.11100  1.0 3.0
   44    40    61    62   0.34400  1.0 1.0
   44    40    61    62   0.09450 -1.0 2.0
   44    40    61    62   0.11100  1.0 3.0
   44    40    61    66   0.34400  1.0 1.0
   44    40    61    66   0.09450 -1.0 2.0
   44    40    61    66   0.11100  1.0 3.0
   44    49    55    56   0.00000  1.0 1.0
   44    49    55    57   0.00000  1.0 1.0
   44    49   -55    58   0.09850  1.0 1.0
   44    49   -55    58   0.15250 -1.0 2.0
   44    49   -55    58  -0.50650  1.0 3.0
   49    44    51    52   0.00000  1.0 1.0
   49    44    51    53   0.00000  1.0 1.0
   49    44    51    54   0.00000  1.0 1.0
   49    55    58    59   0.15000  1.0 3.0
   49    55    58    60   0.15000  1.0 3.0
   49    55    58    61   0.34400  1.0 1.0
   49    55    58    61   0.09450 -1.0 2.0
   49    55    58    61   0.11100  1.0 3.0
   50    49    55    56   0.33100  1.0 3.0
   50    49    55    57   0.33100  1.0 3.0
   50    49    55    58   0.00000  1.0 1.0
   55    58   -61    40   0.56750  1.0 1.0
   55    58   -61    40  -0.07550 -1.0 2.0
   55    58   -61    40   0.20000  1.0 3.0
   55    58    61    62   0.56750  1.0 1.0
   55    58    61    62  -0.07550 -1.0 2.0
   55    58    61    62   0.20000  1.0 3.0
   55    58    61    66   0.56750  1.0 1.0
   55    58    61    66  -0.07550 -1.0 2.0
   55    58    61    66   0.20000  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    61   0.15000  1.0 3.0
   58    61    62    63   0.15000  1.0 3.0
   58    61    62    64   0.15000  1.0 3.0
   58    61    62    65   0.15000  1.0 3.0
   58    61    66    67   0.15000  1.0 3.0
   58    61    66    68   0.15000  1.0 3.0
   58    61    66    69   0.15000  1.0 3.0
   59    58    61    40   0.15000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    66   0.15000  1.0 3.0
   60    58    61    40   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    66   0.15000  1.0 3.0
   61    40   -44    49   0.09850  1.0 1.0
   61    40   -44    49   0.15250 -1.0 2.0
   61    40   -44    49  -0.50650  1.0 3.0
   61    40    44    51   0.46850  1.0 1.0
   61    40    44    51   0.08550 -1.0 2.0
   61    40    44    51   0.09800  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    68   0.15000  1.0 3.0
   62    61    66    69   0.15000  1.0 3.0
   66    61    62    63   0.15000  1.0 3.0
   66    61    62    64   0.15000  1.0 3.0
   66    61    62    65   0.15000  1.0 3.0
   51    44    49    50   7.00000 -1.0 2.0
   51    44    49    55   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    42  15.00000 -1.0 2.0
   45    43    42    38  15.00000 -1.0 2.0
   40    51    44    49   1.10000 -1.0 2.0
   55    50    49    44   1.10000 -1.0 2.0
END
