* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    166    260     493
    1     0 S   NP   _N1_     1    28.95935    96.24340   -19.47281
    2     1 S   H    _HN1     2     1.02777    77.36839   -66.40092
    3     1 S   H    _H1_     3     1.02966    91.97575    41.96719
    4     1 S   H    _H2_     4     1.02836    40.97280   155.98170
    5     1 S   CT   _CA1     5     1.50147   149.86792  -179.21093
    6     5 S   HC   _HA1     6     1.09569   105.23401    42.07996
    7     5 S   CO3  _C1_     7     1.53855   112.35973   -78.13340
    8     7 S   O2Z  _O11     8     1.26353   114.97139   -41.70878
    9     7 S   O2Z  _O12     9     1.26241   114.95867   137.31990
   10     5 S   CT   _CB1    10     1.53091   107.39926   160.07062
   11    10 S   HC   HB11    11     1.09812   109.44033   -49.31969
   12    10 S   HC   HB12    12     1.09827   110.36979    67.28694
   13    10 S   CT   _CG1    13     1.52973   112.63606  -170.46700
   14    13 S   HC   HG11    14     1.09443   110.29126   -59.87204
   15    13 S   HC   HG12    15     1.09630   110.18286    59.02729
   16    13 S   C    _CD1    16     1.51822   112.11115   178.91285
   17    16 S   O    _OE1    17     1.22747   123.00071   -18.58982
   18    16 S   N    _N2_    18     1.38541   111.81866   162.96112
   19    18 S   H    _HN2    19     1.01567   119.10020    -0.14537
   20    18 S   CT1  _CA2    20     1.46254   123.58257   179.91377
   21    20 S   HC   _HA2    21     1.09738   109.35272   -11.26247
   22    20 S   C    _C2_    22     1.53540   108.20477  -126.67417
   23    22 S   O    _O2_    23     1.23011   122.36429  -147.19937
   24    20 S   CT   _CB2    32     1.53539   111.48004   110.94491
   25    24 S   HC   HB21    33     1.09426   109.49085    53.59380
   26    24 S   HC   HB22    34     1.09474   109.88255   172.45015
   27    22 S   N    _N3_    24     1.38561   113.37597    40.32283
   28    27 S   H    _HN3    25     1.01521   118.83869    -0.91343
   29    24 S   S    _SG2    35     1.83359   111.23339   -68.07189
   30    27 S   CT   _CA3    26     1.45450   123.60101   175.26248
   31    30 S   HC   HA31    27     1.09512   109.43201    20.62763
   32    30 S   HC   HA32    28     1.09503   107.07403   137.63531
   33    29 S   CT   _C12    36     1.85022   102.08821   170.84657
   34    33 S   OM   _O34    37     1.31897   111.87787    51.94739
   35    30 S   CO3  _C3_    29     1.52903   112.97732  -102.99977
   36    35 S   O2Z  _O31    30     1.26415   115.34571   -46.40322
   37    35 S   O2Z  _O32    31     1.26346   115.03323   134.53392
   38    33 S   CM   _C7_    38     1.53269   108.13331   173.91301
   39    38 S   CMA  _C8_    39     1.36411   120.88387    97.23460
   40    39 S   OM   _O35    40     1.26395   129.78245   173.29697
   41    38 S   CT   _C5_    76     1.55436   117.22320   -82.35652
   42    41 S   HC   _H7_    77     1.09777   108.38315    10.98530
   43    39 S   CM   _C9_    41     1.49632   118.90279    -8.63586
   44    41 S   CT   _C4_    78     1.53607   114.06644   126.02089
   45    44 S   HC   _H4_    79     1.09375   112.71182    75.13682
   46    44 S   HC   _H5_    80     1.09529   111.14025   -46.86613
   47    44 S   HC   _H6_    81     1.09617   109.99332  -165.81391
   48    41 S   CT   _C6_    82     1.53269   112.53740  -106.64743
   49    48 S   HC   _H8_    83     1.09448   112.10542   -68.77777
   50    48 S   HC   _H9_    84     1.09570   110.31552   171.62485
   51    48 S   HC   _H10    85     1.09495   111.39311    52.23872
   52    43 S   CM   _C10    42     1.35553   122.87563    24.88684
   53    43 S   CT   _C20    61     1.53233   117.00622  -152.81653
   54    53 S   HC   _H19    62     1.09902   108.59763   -68.32847
   55    53 S   HC   _H20    63     1.09808   110.00318    48.88283
   56    33 S   CO4  _C11    43     1.54313   108.67055   -66.34385
   57    56 S   O    _O33    44     1.23296   122.53343    98.00526
   58    52 S   CT   _C13    45     1.55577   124.38904   179.02985
   59    58 S   CT   _C14    46     1.55377   114.00647  -139.04207
   60    59 S   HC   _H11    47     1.09809   109.61477    49.63656
   61    59 S   HC   _H12    48     1.09472   111.11808   -68.28947
   62    58 S   CT   _C23    72     1.54655   104.54039   102.44592
   63    62 S   HC   _H27    73     1.08755   113.54343   179.74589
   64    62 S   HC   _H28    74     1.09664   110.76724    61.45072
   65    62 S   HC   _H29    75     1.09459   112.42743   -57.68613
   66    59 S   CT   _C15    49     1.52894   114.10242   172.15272
   67    66 S   HC   _H13    50     1.09496   110.47480    66.31312
   68    66 S   HC   _H14    51     1.09692   108.79449  -177.80965
   69    66 S   CT   _C16    52     1.51967   112.19815   -57.26964
   70    69 S   HC   _H15    53     1.09752   109.17766   178.78389
   71    69 S   HC   _H16    54     1.09881   107.85928   -66.42971
   72    69 S   CT   _C17    55     1.54583   113.70965    55.08116
   73    58 S   CT   _C18    56     1.57651   108.54388   -20.08504
   74    73 S   HC   _H3_    57     1.10465   104.67050   -59.44308
   75    72 S   CT   _C21    64     1.55339   106.47136  -167.88913
   76    75 S   HC   _H21    65     1.09443   112.08743  -171.62555
   77    75 S   HC   _H22    66     1.09577   111.42285    67.25823
   78    75 S   HC   _H23    67     1.09676   110.96954   -52.24895
   79    72 S   CT   _C22    68     1.53945   110.42402    77.30393
   80    79 S   HC   _H24    69     1.09397   111.72074  -173.93176
   81    79 S   HC   _H25    70     1.09725   110.59248    67.17604
   82    79 S   HC   _H26    71     1.08900   113.31995   -51.17270
   83    73 S   CT   _C19    58     1.53105   109.56340    53.25225
   84    83 S   HC   _H17    59     1.09408   112.02332   176.29667
   85    83 S   HC   _H18    60     1.09462   111.52641    57.83741
  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   8   5   4   3
  13   6   2   1   1  17  13   4  11   8  13   7   3   2   1   3
   2   1   1  18  10   5   4   5   1  19  16   7   6   8   3   2
   1   9   5   4  14   5   4  13  12   5   8   3   2   1   4   2
   1   1   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    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    52    56    57    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    52    56    57    58    41    42    44    48  
   38    39    52    56    57    41  
   36    37  
   37  
    0  
   39    40    43    52    56    57    53    41    42    44    45    46    47    48    49    50    51  
   40    43    52    56    58    83    53    54    55    41    42    44    48  
   43    52    53    41  
   42    44    45    46    47    48    49    50    51    43    56  
   44    45    46    47    48    49    50    51  
   52    56    57    58    59    73    83    84    85    53    54    55    62  
   45    46    47    48    49    50    51  
   46    47    48  
   47    48  
   48  
   49    50    51  
   50    51  
   51  
    0  
   56    57    58    59    60    61    66    72    73    74    83    53    54    55    62    63    64    65  
   54    55    56    58    72    73    74    83    84    85  
   55    73    83    84    85  
   73    83    84    85  
   57    58    59    73    62  
   58  
   59    60    61    66    67    68    69    72    73    74    83    84    85    75    79    62    63    64    65  
   60    61    66    67    68    69    70    71    72    73    74    83    62    63    64    65  
   61    66    67    68    69    73    62  
   66    67    68    69    73    62  
   63    64    65    66    72    73    74    83  
   64    65    73  
   65    73  
   73  
   67    68    69    70    71    72    73    75    79  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72    73    74    83    75    76    77    78    79    80    81    82  
   71    72    73    75    79  
   72    73    75    79  
   73    74    83    84    85    75    76    77    78    79    80    81    82  
   74    83    84    85    75    76    77    78    79    80    81    82  
   83    84    85    75    79  
   76    77    78    79    80    81    82    83  
   77    78    79  
   78    79  
   79  
   80    81    82    83  
   81    82  
   82  
    0  
   84    85  
   85  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   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  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   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   570.000  1.307
   33    38   317.000  1.510
   33    56   317.000  1.522
   38    39   465.000  1.376
   38    41   317.000  1.510
   39    40   745.000  1.250
   39    43   465.000  1.376
   43    52   549.000  1.340
   43    53   317.000  1.510
   52    56   320.000  1.462
   52    58   317.000  1.510
   56    57   570.000  1.229
   58    59   268.000  1.529
   58    73   268.000  1.529
   58    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   268.000  1.529
   72    75   268.000  1.529
   72    79   268.000  1.529
   73    74   340.000  1.090
   73    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   41    42   340.000  1.090
   41    44   268.000  1.529
   41    48   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    56    75.00000  110.18000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    56    52    65.00000  118.62400
   33    56    57    80.00000  120.40000
   38    33    34    85.00000  110.90400
   38    39    40    65.00000  137.10300
   38    39    43    70.00000  123.01800
   38    41    42    35.00000  109.50000
   38    41    44    70.00000  112.02700
   38    41    48    70.00000  112.02700
   39    43    52    70.00000  117.34000
   39    43    53    70.00000  124.00000
   43    39    40    65.00000  137.10300
   43    52    56    65.00000  118.96000
   43    52    58    70.00000  124.00000
   43    53    83    70.00000  112.02700
   43    53    54    35.00000  109.50000
   43    53    55    35.00000  109.50000
   52    56    57    80.00000  123.72100
   52    58    59    70.00000  112.02700
   52    58    73    70.00000  112.02700
   52    58    62    70.00000  112.02700
   56    33    34    90.00000  108.74100
   56    33    38    70.00000  109.06800
   58    52    56    65.00000  116.34900
   58    59    60    37.50000  110.70000
   58    59    61    37.50000  110.70000
   58    59    66    58.35000  112.70000
   58    73    72    58.35000  112.70000
   58    73    74    37.50000  110.70000
   58    73    83    58.35000  112.70000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    65    37.50000  110.70000
   59    66    67    37.50000  110.70000
   59    66    68    37.50000  110.70000
   59    66    69    58.35000  112.70000
   61    59    60    33.00000  107.80000
   66    59    60    37.50000  110.70000
   66    59    61    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    72    73    58.35000  112.70000
   69    72    75    58.35000  112.70000
   69    72    79    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    73    74    37.50000  110.70000
   72    73    83    58.35000  112.70000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    37.50000  110.70000
   72    79    80    37.50000  110.70000
   72    79    81    37.50000  110.70000
   72    79    82    37.50000  110.70000
   73    58    59    58.35000  112.70000
   73    83    84    37.50000  110.70000
   73    83    85    37.50000  110.70000
   73    83    53    58.35000  112.70000
   83    73    74    37.50000  110.70000
   83    53    54    37.50000  110.70000
   83    53    55    37.50000  110.70000
   85    83    84    33.00000  107.80000
   53    43    52    70.00000  124.00000
   53    83    84    37.50000  110.70000
   53    83    85    37.50000  110.70000
   55    53    54    33.00000  107.80000
   75    72    73    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    72    73    58.35000  112.70000
   79    72    75    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   62    58    59    58.35000  112.70000
   62    58    73    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   41    38    39    70.00000  124.00000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    47    37.50000  110.70000
   41    48    49    37.50000  110.70000
   41    48    50    37.50000  110.70000
   41    48    51    37.50000  110.70000
   44    41    42    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    41    42    37.50000  110.70000
   48    41    44    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    56    52   0.65300  1.0 1.0
   29    33    56    52  -0.03850 -1.0 2.0
   29    33    56    52   0.33900  1.0 3.0
   29    33    56    57   0.30150 -1.0 2.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    43   7.00000 -1.0 2.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    44   0.46850  1.0 1.0
   33    38    41    44   0.08550 -1.0 2.0
   33    38    41    44   0.09800  1.0 3.0
   33    38    41    48   0.46850  1.0 1.0
   33    38    41    48   0.08550 -1.0 2.0
   33    38    41    48   0.09800  1.0 3.0
   34    33    38    39   0.39000  1.0 1.0
   34    33    38    39  -0.05800 -1.0 2.0
   34    33    38    39  -0.55150  1.0 3.0
   34    33    38    41   0.09700  1.0 1.0
   34    33    38    41   0.15600 -1.0 2.0
   34    33    38    41  -0.50800  1.0 3.0
   34    33    56    52   0.65300  1.0 1.0
   34    33    56    52  -0.03850 -1.0 2.0
   34    33    56    52   0.33900  1.0 3.0
   34    33    56    57   0.30150 -1.0 2.0
   38    33    56    52   0.65300  1.0 1.0
   38    33    56    52  -0.03850 -1.0 2.0
   38    33    56    52   0.33900  1.0 3.0
   38    33    56    57   0.30150 -1.0 2.0
   38    39   -43    52   7.00000 -1.0 2.0
   38    39    43    53   7.00000 -1.0 2.0
   38    41    44    45   0.15000  1.0 3.0
   38    41    44    46   0.15000  1.0 3.0
   38    41    44    47   0.15000  1.0 3.0
   38    41    48    49   0.15000  1.0 3.0
   38    41    48    50   0.15000  1.0 3.0
   38    41    48    51   0.15000  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    44   0.09850  1.0 1.0
   39    38    41    44   0.15250 -1.0 2.0
   39    38    41    44  -0.50650  1.0 3.0
   39    38    41    48   0.09850  1.0 1.0
   39    38    41    48   0.15250 -1.0 2.0
   39    38    41    48  -0.50650  1.0 3.0
   39    43    52    56   7.00000 -1.0 2.0
   39    43    52    58   7.00000 -1.0 2.0
   39    43    53    83   0.09850  1.0 1.0
   39    43    53    83   0.15250 -1.0 2.0
   39    43    53    83  -0.50650  1.0 3.0
   39    43    53    54   0.00000  1.0 1.0
   39    43    53    55   0.00000  1.0 1.0
   40    39    43    52   7.00000 -1.0 2.0
   40    39    43    53   7.00000 -1.0 2.0
   43    52   -56    33  -0.33500  1.0 1.0
   43    52   -56    33   1.06600 -1.0 2.0
   43    52   -56    33  -0.14000  1.0 3.0
   43    52    56    57   1.00000 -1.0 2.0
   43    52    58    59   0.09850  1.0 1.0
   43    52    58    59   0.15250 -1.0 2.0
   43    52    58    59  -0.50650  1.0 3.0
   43    52    58    73   0.09850  1.0 1.0
   43    52    58    73   0.15250 -1.0 2.0
   43    52    58    73  -0.50650  1.0 3.0
   43    52    58    62   0.09850  1.0 1.0
   43    52    58    62   0.15250 -1.0 2.0
   43    52    58    62  -0.50650  1.0 3.0
   52    43    53    83   0.09850  1.0 1.0
   52    43    53    83   0.15250 -1.0 2.0
   52    43    53    83  -0.50650  1.0 3.0
   52    43    53    54   0.00000  1.0 1.0
   52    43    53    55   0.00000  1.0 1.0
   52    58    59    60   0.15000  1.0 3.0
   52    58    59    61   0.15000  1.0 3.0
   52    58    59    66   0.34400  1.0 1.0
   52    58    59    66   0.09450 -1.0 2.0
   52    58    59    66   0.11100  1.0 3.0
   52    58    73    72   0.34400  1.0 1.0
   52    58    73    72   0.09450 -1.0 2.0
   52    58    73    72   0.11100  1.0 3.0
   52    58    73    74   0.15000  1.0 3.0
   52    58   -73    83   0.34400  1.0 1.0
   52    58   -73    83   0.09450 -1.0 2.0
   52    58   -73    83   0.11100  1.0 3.0
   52    58    62    63   0.15000  1.0 3.0
   52    58    62    64   0.15000  1.0 3.0
   52    58    62    65   0.15000  1.0 3.0
   56    33   -38    39  -0.51250  1.0 1.0
   56    33   -38    39  -0.88800 -1.0 2.0
   56    33   -38    39   0.08850  1.0 3.0
   56    33    38    41   0.17250  1.0 1.0
   56    33    38    41  -0.04100 -1.0 2.0
   56    33    38    41  -0.33850  1.0 3.0
   56    52    58    59   0.09700  1.0 1.0
   56    52    58    59   0.15600 -1.0 2.0
   56    52    58    59  -0.50800  1.0 3.0
   56    52    58    73   0.09700  1.0 1.0
   56    52    58    73   0.15600 -1.0 2.0
   56    52    58    73  -0.50800  1.0 3.0
   56    52    58    62   0.09700  1.0 1.0
   56    52    58    62   0.15600 -1.0 2.0
   56    52    58    62  -0.50800  1.0 3.0
   58    52    56    33   0.25700  1.0 1.0
   58    52    56    33   0.66200 -1.0 2.0
   58    52    56    33   0.04450  1.0 3.0
   58    52    56    57  -0.64400  1.0 1.0
   58    52    56    57   0.26850 -1.0 2.0
   58    59    66    67   0.15000  1.0 3.0
   58    59    66    68   0.15000  1.0 3.0
   58    59    66    69   0.56750  1.0 1.0
   58    59    66    69  -0.07550 -1.0 2.0
   58    59    66    69   0.20000  1.0 3.0
   58    73    83    84   0.15000  1.0 3.0
   58    73    83    85   0.15000  1.0 3.0
   58    73    83    53   0.56750  1.0 1.0
   58    73    83    53  -0.07550 -1.0 2.0
   58    73    83    53   0.20000  1.0 3.0
   59    58    73    72   0.56750  1.0 1.0
   59    58    73    72  -0.07550 -1.0 2.0
   59    58    73    72   0.20000  1.0 3.0
   59    58    73    74   0.15000  1.0 3.0
   59    58    73    83   0.56750  1.0 1.0
   59    58    73    83  -0.07550 -1.0 2.0
   59    58    73    83   0.20000  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    64   0.15000  1.0 3.0
   59    58    62    65   0.15000  1.0 3.0
   59    66    69    70   0.15000  1.0 3.0
   59    66    69    71   0.15000  1.0 3.0
   59    66   -69    72   0.56750  1.0 1.0
   59    66   -69    72  -0.07550 -1.0 2.0
   59    66   -69    72   0.20000  1.0 3.0
   60    59    66    67   0.15000  1.0 3.0
   60    59    66    68   0.15000  1.0 3.0
   60    59    66    69   0.15000  1.0 3.0
   61    59    66    67   0.15000  1.0 3.0
   61    59    66    68   0.15000  1.0 3.0
   61    59    66    69   0.15000  1.0 3.0
   66    69    72    73   0.56750  1.0 1.0
   66    69    72    73  -0.07550 -1.0 2.0
   66    69    72    73   0.20000  1.0 3.0
   66    69    72    75   0.56750  1.0 1.0
   66    69    72    75  -0.07550 -1.0 2.0
   66    69    72    75   0.20000  1.0 3.0
   66    69    72    79   0.56750  1.0 1.0
   66    69    72    79  -0.07550 -1.0 2.0
   66    69    72    79   0.20000  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    72   -73    58   0.56750  1.0 1.0
   69    72   -73    58  -0.07550 -1.0 2.0
   69    72   -73    58   0.20000  1.0 3.0
   69    72    73    74   0.15000  1.0 3.0
   69    72    73    83   0.56750  1.0 1.0
   69    72    73    83  -0.07550 -1.0 2.0
   69    72    73    83   0.20000  1.0 3.0
   69    72    75    76   0.15000  1.0 3.0
   69    72    75    77   0.15000  1.0 3.0
   69    72    75    78   0.15000  1.0 3.0
   69    72    79    80   0.15000  1.0 3.0
   69    72    79    81   0.15000  1.0 3.0
   69    72    79    82   0.15000  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    75   0.15000  1.0 3.0
   70    69    72    79   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    75   0.15000  1.0 3.0
   71    69    72    79   0.15000  1.0 3.0
   72    73    83    84   0.15000  1.0 3.0
   72    73    83    85   0.15000  1.0 3.0
   72    73    83    53   0.56750  1.0 1.0
   72    73    83    53  -0.07550 -1.0 2.0
   72    73    83    53   0.20000  1.0 3.0
   73    58    59    60   0.15000  1.0 3.0
   73    58    59    61   0.15000  1.0 3.0
   73    58   -59    66   0.56750  1.0 1.0
   73    58   -59    66  -0.07550 -1.0 2.0
   73    58   -59    66   0.20000  1.0 3.0
   73    58    62    63   0.15000  1.0 3.0
   73    58    62    64   0.15000  1.0 3.0
   73    58    62    65   0.15000  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    78   0.15000  1.0 3.0
   73    72    79    80   0.15000  1.0 3.0
   73    72    79    81   0.15000  1.0 3.0
   73    72    79    82   0.15000  1.0 3.0
   73    83   -53    43   0.34400  1.0 1.0
   73    83   -53    43   0.09450 -1.0 2.0
   73    83   -53    43   0.11100  1.0 3.0
   73    83    53    54   0.15000  1.0 3.0
   73    83    53    55   0.15000  1.0 3.0
   74    73    83    84   0.15000  1.0 3.0
   74    73    83    85   0.15000  1.0 3.0
   74    73    83    53   0.15000  1.0 3.0
   84    83    53    43   0.15000  1.0 3.0
   84    83    53    54   0.15000  1.0 3.0
   84    83    53    55   0.15000  1.0 3.0
   85    83    53    43   0.15000  1.0 3.0
   85    83    53    54   0.15000  1.0 3.0
   85    83    53    55   0.15000  1.0 3.0
   53    43    52    56   7.00000 -1.0 2.0
   53    43   -52    58   7.00000 -1.0 2.0
   75    72    73    58   0.56750  1.0 1.0
   75    72    73    58  -0.07550 -1.0 2.0
   75    72    73    58   0.20000  1.0 3.0
   75    72    73    74   0.15000  1.0 3.0
   75    72    73    83   0.56750  1.0 1.0
   75    72    73    83  -0.07550 -1.0 2.0
   75    72    73    83   0.20000  1.0 3.0
   75    72    79    80   0.15000  1.0 3.0
   75    72    79    81   0.15000  1.0 3.0
   75    72    79    82   0.15000  1.0 3.0
   79    72    73    58   0.56750  1.0 1.0
   79    72    73    58  -0.07550 -1.0 2.0
   79    72    73    58   0.20000  1.0 3.0
   79    72    73    74   0.15000  1.0 3.0
   79    72    73    83   0.56750  1.0 1.0
   79    72    73    83  -0.07550 -1.0 2.0
   79    72    73    83   0.20000  1.0 3.0
   79    72    75    76   0.15000  1.0 3.0
   79    72    75    77   0.15000  1.0 3.0
   79    72    75    78   0.15000  1.0 3.0
   62    58    59    60   0.15000  1.0 3.0
   62    58    59    61   0.15000  1.0 3.0
   62    58    59    66   0.56750  1.0 1.0
   62    58    59    66  -0.07550 -1.0 2.0
   62    58    59    66   0.20000  1.0 3.0
   62    58    73    72   0.56750  1.0 1.0
   62    58    73    72  -0.07550 -1.0 2.0
   62    58    73    72   0.20000  1.0 3.0
   62    58    73    74   0.15000  1.0 3.0
   62    58    73    83   0.56750  1.0 1.0
   62    58    73    83  -0.07550 -1.0 2.0
   62    58    73    83   0.20000  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    43   7.00000 -1.0 2.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    46   0.15000  1.0 3.0
   42    41    44    47   0.15000  1.0 3.0
   42    41    48    49   0.15000  1.0 3.0
   42    41    48    50   0.15000  1.0 3.0
   42    41    48    51   0.15000  1.0 3.0
   44    41    48    49   0.15000  1.0 3.0
   44    41    48    50   0.15000  1.0 3.0
   44    41    48    51   0.15000  1.0 3.0
   48    41    44    45   0.15000  1.0 3.0
   48    41    44    46   0.15000  1.0 3.0
   48    41    44    47   0.15000  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
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   43    40    39    38   1.10000 -1.0 2.0
   39    53    43    52   1.10000 -1.0 2.0
   56    58    52    43   1.10000 -1.0 2.0
   33    52    56    57  10.50000 -1.0 2.0
END
