* LIGAND DATABASE FILE (OPLS2005)
*
001      86    85    155    226     455
    1     0 S   NP   _N1_     1    32.31648   102.74755   -21.26008
    2     1 S   H    _HN1     2     1.02803   173.86442  -155.21640
    3     1 S   H    _H1_     3     1.02906    69.31983   -92.64520
    4     1 S   H    _H2_     4     1.03442    69.69020   148.68088
    5     1 S   CT   _CA1     5     1.50039    73.56864    27.72087
    6     5 S   HC   _HA1     6     1.09399   105.38622   110.90030
    7     5 S   CO3  _C1_     7     1.53649   112.84140    -9.38117
    8     7 S   O2Z  _O11     8     1.26374   115.14570   -42.93314
    9     7 S   O2Z  _O12     9     1.26298   114.92268   136.76498
   10     5 S   CT   _CB1    10     1.52912   107.22293  -131.62632
   11    10 S   HC   HB11    11     1.09701   108.70771   -50.61202
   12    10 S   HC   HB12    12     1.09809   110.45182    65.64061
   13    10 S   CT   _CG1    13     1.52937   113.39721  -171.56832
   14    13 S   HC   HG11    14     1.09531   111.11121   -62.46097
   15    13 S   HC   HG12    15     1.09511   110.80548    56.83929
   16    13 S   C    _CD1    16     1.51531   110.58014   177.75746
   17    16 S   O    _OE1    17     1.22829   121.72186   105.81473
   18    16 S   N    _N2_    18     1.38521   113.05684   -73.40396
   19    18 S   H    _HN2    19     1.01559   119.12707     0.66910
   20    18 S   CT1  _CA2    20     1.46241   123.21072   176.81574
   21    20 S   HC   _HA2    21     1.09678   109.26790     5.37141
   22    20 S   C    _C2_    22     1.53767   109.90361  -111.10397
   23    22 S   O    _O2_    23     1.23143   121.58687  -159.61686
   24    20 S   CT   _CB2    32     1.53324   111.45714   127.33785
   25    24 S   HC   HB21    33     1.09533   109.49456    62.40737
   26    24 S   HC   HB22    34     1.09524   110.91169  -179.63955
   27    22 S   N    _N3_    24     1.38199   114.68199    26.01941
   28    27 S   H    _HN3    25     1.01500   119.52889     0.06853
   29    24 S   S    _SG2    35     1.82496   112.53059   -58.88607
   30    27 S   CT   _CA3    26     1.45374   123.18956   179.61641
   31    30 S   HC   HA31    27     1.09527   107.18545   -77.11987
   32    30 S   HC   HA32    28     1.09572   108.39597    39.41575
   33    29 S   OS   _O35    36     1.67070    98.51678   157.22493
   34    30 S   CO3  _C3_    29     1.52990   114.36363   161.85490
   35    34 S   O2Z  _O31    30     1.26338   116.26193     7.21831
   36    34 S   O2Z  _O32    31     1.26427   114.38171  -172.67970
   37    33 S   CT   _C11    37     1.43650   115.11022   -86.24250
   38    37 S   HC   _H3_    38     1.09257   109.72452    27.74475
   39    37 S   CM   _C10    39     1.50820   106.75553   146.05784
   40    39 S   HC   _H16    40     1.09002   115.48235    55.32113
   41    37 S   CM   _C12    59     1.50921   109.33004   -94.25661
   42    41 S   HC   _H17    60     1.08906   116.25807   -60.86364
   43    39 S   CM   _C9_    41     1.34341   127.79651  -123.72036
   44    43 S   HC   _H15    42     1.08941   116.96213   179.54544
   45    41 S   CM   _C13    61     1.34395   126.37496   120.35468
   46    45 S   HC   _H18    62     1.08814   117.87771   178.14861
   47    43 S   CT   _C8_    43     1.50271   127.94905    -1.19796
   48    47 S   HC   _H13    44     1.09132   111.44753    -8.39915
   49    47 S   HC   _H14    45     1.09681   108.11249  -124.84652
   50    45 S   CT   _C14    63     1.50110   126.10663    -3.39909
   51    50 S   HC   _H19    64     1.09709   108.67031  -148.16668
   52    50 S   HC   _H20    65     1.09566   110.19752   -33.18539
   53    47 S   CT   _C7_    46     1.53071   111.29877   114.72490
   54    53 S   HC   _H11    47     1.09703   110.07598   -60.58594
   55    53 S   HC   _H12    48     1.09773   109.21599    56.05016
   56    50 S   CT   _C15    66     1.52978   112.19184    90.41622
   57    56 S   HC   _H21    67     1.09694   109.87174    70.01430
   58    56 S   HC   _H22    68     1.09613   110.21905   -47.41734
   59    53 S   CT   _C6_    49     1.53212   113.20801   176.54203
   60    59 S   HC   _H9_    50     1.09681   109.62052   -55.80719
   61    59 S   HC   _H10    51     1.09718   108.12879  -171.79924
   62    56 S   CT   _C16    69     1.52875   110.64120  -168.38107
   63    62 S   HC   _H23    70     1.09681   109.65248   -62.01002
   64    62 S   HC   _H24    71     1.09681   109.17848    54.99283
   65    59 S   CT   _C5_    52     1.52909   113.38771    67.29285
   66    65 S   HC   _H7_    53     1.09483   109.81089    54.79614
   67    65 S   HC   _H8_    54     1.09408   110.46495   -63.36772
   68    62 S   CT   _C17    72     1.52921   112.05258   175.77673
   69    68 S   HC   _H25    73     1.09676   109.65061   -55.65621
   70    68 S   HC   _H26    74     1.09632   109.84203    62.09268
   71    65 S   CT   _C4_    55     1.52045   111.40031   175.87004
   72    71 S   HC   _H4_    56     1.09464   110.99083    59.41139
   73    71 S   HC   _H5_    57     1.09380   110.22107   179.04387
   74    71 S   HC   _H6_    58     1.09456   111.03494   -61.21278
   75    68 S   CT   _C18    75     1.52916   110.45152  -176.44438
   76    75 S   HC   _H27    76     1.09625   109.05140   -59.56947
   77    75 S   HC   _H28    77     1.09637   109.31167    57.30790
   78    75 S   CT   _C19    78     1.52937   112.14595   178.73205
   79    78 S   HC   _H29    79     1.09657   109.52486    63.42279
   80    78 S   HC   _H30    80     1.09676   109.39529   -53.51394
   81    78 S   CT   _C20    81     1.52642   112.04884  -173.79755
   82    81 S   HC   _H31    82     1.09656   109.49487   175.44740
   83    81 S   HC   _H32    83     1.09658   110.25281    58.19394
   84    81 S   CO3  _C21    84     1.52879   111.83961   -64.74066
   85    84 S   O2Z  _O34    85     1.26229   115.33593   -68.54714
   86    84 S   O2Z  _O33    86     1.26443   114.85454   111.64313
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
   8   2   1   1  11   6  10   4   8   3   8   4   8   4   9   5
   4   9   5   4   9   5   4   9   5   4   9   5   4   9   5   4
   6   5   4   9   5   4   3   2   1   1   9   5   4   8   5   4
   5   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    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    43    41    42    45  
   35    36  
   36  
    0  
   38    39    40    43    44    47    41    42    45    46    50  
   39    40    43    41    42    45  
   40    43    44    47    48    49    53    41    42    45  
   43    44    47    41  
   42    45    46    50    51    52    56    43  
   45    46    50  
   44    47    48    49    53    54    55    59  
   47    48    49    53  
   46    50    51    52    56    57    58    62  
   50    51    52    56  
   48    49    53    54    55    59    60    61    65  
   49    53    54    55    59  
   53    54    55    59  
   51    52    56    57    58    62    63    64    68  
   52    56    57    58    62  
   56    57    58    62  
   54    55    59    60    61    65    66    67    71  
   55    59    60    61    65  
   59    60    61    65  
   57    58    62    63    64    68    69    70    75  
   58    62    63    64    68  
   62    63    64    68  
   60    61    65    66    67    71    72    73    74  
   61    65    66    67    71  
   65    66    67    71  
   63    64    68    69    70    75    76    77    78  
   64    68    69    70    75  
   68    69    70    75  
   66    67    71    72    73    74  
   67    71    72    73    74  
   71    72    73    74  
   69    70    75    76    77    78    79    80    81  
   70    75    76    77    78  
   75    76    77    78  
   72    73    74  
   73    74  
   74  
    0  
   76    77    78    79    80    81    82    83    84  
   77    78    79    80    81  
   78    79    80    81  
   79    80    81    82    83    84    85    86  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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   0.047500   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   2.9000   0.1400  -0.415000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   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   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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   655.000  1.490
   33    37   320.000  1.410
   37    38   340.000  1.090
   37    39   317.000  1.510
   37    41   317.000  1.510
   39    40   340.000  1.080
   39    43   549.000  1.340
   43    44   340.000  1.080
   43    47   317.000  1.510
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   41    42   340.000  1.080
   41    45   549.000  1.340
   45    46   340.000  1.080
   45    50   317.000  1.510
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   317.000  1.522
   84    85   656.000  1.250
   84    86   656.000  1.250
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   110.00000  101.00000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37   100.00000  113.00000
   33    37    38    35.00000  109.50000
   33    37    39    85.00000  110.90400
   33    37    41    85.00000  110.90400
   37    39    40    35.00000  117.00000
   37    39    43    70.00000  124.00000
   37    41    42    35.00000  117.00000
   37    41    45    70.00000  124.00000
   39    37    38    35.00000  109.50000
   39    43    44    35.00000  120.00000
   39    43    47    70.00000  124.00000
   43    39    40    35.00000  120.00000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    53    70.00000  112.02700
   47    43    44    35.00000  117.00000
   47    53    54    37.50000  110.70000
   47    53    55    37.50000  110.70000
   47    53    59    58.35000  112.70000
   49    47    48    33.00000  107.80000
   53    47    48    37.50000  110.70000
   53    47    49    37.50000  110.70000
   53    59    60    37.50000  110.70000
   53    59    61    37.50000  110.70000
   53    59    65    58.35000  112.70000
   55    53    54    33.00000  107.80000
   59    53    54    37.50000  110.70000
   59    53    55    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    67    37.50000  110.70000
   59    65    71    58.35000  112.70000
   61    59    60    33.00000  107.80000
   65    59    60    37.50000  110.70000
   65    59    61    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    74    37.50000  110.70000
   67    65    66    33.00000  107.80000
   71    65    66    37.50000  110.70000
   71    65    67    37.50000  110.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   41    37    38    35.00000  109.50000
   41    37    39    70.00000  110.12100
   41    45    46    35.00000  120.00000
   41    45    50    70.00000  124.00000
   45    41    42    35.00000  120.00000
   45    50    51    35.00000  109.50000
   45    50    52    35.00000  109.50000
   45    50    56    70.00000  112.02700
   50    45    46    35.00000  117.00000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    62    58.35000  112.70000
   52    50    51    33.00000  107.80000
   56    50    51    37.50000  110.70000
   56    50    52    37.50000  110.70000
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    68    58.35000  112.70000
   58    56    57    33.00000  107.80000
   62    56    57    37.50000  110.70000
   62    56    58    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   62    68    75    58.35000  112.70000
   64    62    63    33.00000  107.80000
   68    62    63    37.50000  110.70000
   68    62    64    37.50000  110.70000
   68    75    76    37.50000  110.70000
   68    75    77    37.50000  110.70000
   68    75    78    58.35000  112.70000
   70    68    69    33.00000  107.80000
   75    68    69    37.50000  110.70000
   75    68    70    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    84    70.00000  109.69300
   80    78    79    33.00000  107.80000
   81    78    79    37.50000  110.70000
   81    78    80    37.50000  110.70000
   81    84    85    70.00000  117.00000
   81    84    86    70.00000  117.00000
   83    81    82    33.00000  107.80000
   84    81    82    35.00000  109.50000
   84    81    83    35.00000  109.50000
   86    84    85    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.00000  1.0 1.0
   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  -2.50000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.37500  1.0 3.0
   29    33    37    39   0.37500  1.0 3.0
   29    33    37    41   0.37500  1.0 3.0
   33    37    39    40   0.00000  1.0 1.0
   33    37    39    43   0.39000  1.0 1.0
   33    37    39    43  -0.05800 -1.0 2.0
   33    37    39    43  -0.55150  1.0 3.0
   33    37    41    42   0.00000  1.0 1.0
   33    37    41    45   0.39000  1.0 1.0
   33    37    41    45  -0.05800 -1.0 2.0
   33    37    41    45  -0.55150  1.0 3.0
   37    39    43    44   7.00000 -1.0 2.0
   37    39    43    47   7.00000 -1.0 2.0
   37    41    45    46   7.00000 -1.0 2.0
   37    41    45    50   7.00000 -1.0 2.0
   38    37    39    40   0.33100  1.0 3.0
   38    37    39    43   0.00000  1.0 1.0
   38    37    41    42   0.33100  1.0 3.0
   38    37    41    45   0.00000  1.0 1.0
   39    37    41    42   0.00000  1.0 1.0
   39    37    41    45  -0.28300  1.0 1.0
   39    37    41    45   0.26700 -1.0 2.0
   39    37    41    45  -0.63300  1.0 3.0
   39    43    47    48   0.00000  1.0 1.0
   39    43    47    49   0.00000  1.0 1.0
   39    43    47    53   0.09850  1.0 1.0
   39    43    47    53   0.15250 -1.0 2.0
   39    43    47    53  -0.50650  1.0 3.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    53    54   0.15000  1.0 3.0
   43    47    53    55   0.15000  1.0 3.0
   43    47    53    59   0.34400  1.0 1.0
   43    47    53    59   0.09450 -1.0 2.0
   43    47    53    59   0.11100  1.0 3.0
   44    43    47    48   0.33100  1.0 3.0
   44    43    47    49   0.33100  1.0 3.0
   44    43    47    53   0.00000  1.0 1.0
   47    53    59    60   0.15000  1.0 3.0
   47    53    59    61   0.15000  1.0 3.0
   47    53    59    65   0.56750  1.0 1.0
   47    53    59    65  -0.07550 -1.0 2.0
   47    53    59    65   0.20000  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    55   0.15000  1.0 3.0
   48    47    53    59   0.15000  1.0 3.0
   49    47    53    54   0.15000  1.0 3.0
   49    47    53    55   0.15000  1.0 3.0
   49    47    53    59   0.15000  1.0 3.0
   53    59    65    66   0.15000  1.0 3.0
   53    59    65    67   0.15000  1.0 3.0
   53    59    65    71   0.56750  1.0 1.0
   53    59    65    71  -0.07550 -1.0 2.0
   53    59    65    71   0.20000  1.0 3.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    61   0.15000  1.0 3.0
   54    53    59    65   0.15000  1.0 3.0
   55    53    59    60   0.15000  1.0 3.0
   55    53    59    61   0.15000  1.0 3.0
   55    53    59    65   0.15000  1.0 3.0
   59    65    71    72   0.15000  1.0 3.0
   59    65    71    73   0.15000  1.0 3.0
   59    65    71    74   0.15000  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    71   0.15000  1.0 3.0
   61    59    65    66   0.15000  1.0 3.0
   61    59    65    67   0.15000  1.0 3.0
   61    59    65    71   0.15000  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    74   0.15000  1.0 3.0
   67    65    71    72   0.15000  1.0 3.0
   67    65    71    73   0.15000  1.0 3.0
   67    65    71    74   0.15000  1.0 3.0
   41    37    39    40   0.00000  1.0 1.0
   41    37    39    43  -0.28300  1.0 1.0
   41    37    39    43   0.26700 -1.0 2.0
   41    37    39    43  -0.63300  1.0 3.0
   41    45    50    51   0.00000  1.0 1.0
   41    45    50    52   0.00000  1.0 1.0
   41    45    50    56   0.09850  1.0 1.0
   41    45    50    56   0.15250 -1.0 2.0
   41    45    50    56  -0.50650  1.0 3.0
   42    41    45    46   7.00000 -1.0 2.0
   42    41    45    50   7.00000 -1.0 2.0
   45    50    56    57   0.15000  1.0 3.0
   45    50    56    58   0.15000  1.0 3.0
   45    50    56    62   0.34400  1.0 1.0
   45    50    56    62   0.09450 -1.0 2.0
   45    50    56    62   0.11100  1.0 3.0
   46    45    50    51   0.33100  1.0 3.0
   46    45    50    52   0.33100  1.0 3.0
   46    45    50    56   0.00000  1.0 1.0
   50    56    62    63   0.15000  1.0 3.0
   50    56    62    64   0.15000  1.0 3.0
   50    56    62    68   0.56750  1.0 1.0
   50    56    62    68  -0.07550 -1.0 2.0
   50    56    62    68   0.20000  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    62   0.15000  1.0 3.0
   52    50    56    57   0.15000  1.0 3.0
   52    50    56    58   0.15000  1.0 3.0
   52    50    56    62   0.15000  1.0 3.0
   56    62    68    69   0.15000  1.0 3.0
   56    62    68    70   0.15000  1.0 3.0
   56    62    68    75   0.56750  1.0 1.0
   56    62    68    75  -0.07550 -1.0 2.0
   56    62    68    75   0.20000  1.0 3.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    62    64   0.15000  1.0 3.0
   57    56    62    68   0.15000  1.0 3.0
   58    56    62    63   0.15000  1.0 3.0
   58    56    62    64   0.15000  1.0 3.0
   58    56    62    68   0.15000  1.0 3.0
   62    68    75    76   0.15000  1.0 3.0
   62    68    75    77   0.15000  1.0 3.0
   62    68    75    78   0.56750  1.0 1.0
   62    68    75    78  -0.07550 -1.0 2.0
   62    68    75    78   0.20000  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    70   0.15000  1.0 3.0
   63    62    68    75   0.15000  1.0 3.0
   64    62    68    69   0.15000  1.0 3.0
   64    62    68    70   0.15000  1.0 3.0
   64    62    68    75   0.15000  1.0 3.0
   68    75    78    79   0.15000  1.0 3.0
   68    75    78    80   0.15000  1.0 3.0
   68    75    78    81   0.56750  1.0 1.0
   68    75    78    81  -0.07550 -1.0 2.0
   68    75    78    81   0.20000  1.0 3.0
   69    68    75    76   0.15000  1.0 3.0
   69    68    75    77   0.15000  1.0 3.0
   69    68    75    78   0.15000  1.0 3.0
   70    68    75    76   0.15000  1.0 3.0
   70    68    75    77   0.15000  1.0 3.0
   70    68    75    78   0.15000  1.0 3.0
   75    78    81    82   0.15000  1.0 3.0
   75    78    81    83   0.15000  1.0 3.0
   75    78    81    84  -1.63150  1.0 1.0
   75    78    81    84  -0.43550 -1.0 2.0
   75    78    81    84   0.24500  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81   0.15000  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    80   0.15000  1.0 3.0
   77    75    78    81   0.15000  1.0 3.0
   78    81    84    85   0.41150 -1.0 2.0
   78    81    84    86   0.41150 -1.0 2.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    83   0.15000  1.0 3.0
   79    78    81    84  -0.11250  1.0 3.0
   80    78    81    82   0.15000  1.0 3.0
   80    78    81    83   0.15000  1.0 3.0
   80    78    81    84  -0.11250  1.0 3.0
   82    81    84    85   0.00000  1.0 1.0
   82    81    84    86   0.00000  1.0 1.0
   83    81    84    85   0.00000  1.0 1.0
   83    81    84    86   0.00000  1.0 1.0
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
   37    40    39    43  15.00000 -1.0 2.0
   47    44    43    39  15.00000 -1.0 2.0
   37    42    41    45  15.00000 -1.0 2.0
   50    46    45    41  15.00000 -1.0 2.0
   85    81    84    86  10.50000 -1.0 2.0
END
