* LIGAND DATABASE FILE (OPLS2005)
*
001      80    80    147    208     414
    1     0 S   NP   _N1_     1    28.88039    93.96341   -23.91214
    2     1 S   H    _HN1     2     1.02829    23.72963   170.59387
    3     1 S   H    _H1_     3     1.02786   107.35878   -94.31989
    4     1 S   H    _H2_     4     1.02949    85.24569    13.45204
    5     1 S   CT   _CA1     5     1.50108   129.03592   125.97281
    6     5 S   HC   _HA1     6     1.09573   105.20327    76.84698
    7     5 S   CO3  _C1_     7     1.53793   112.46751   -43.40692
    8     7 S   O2Z  _O11     8     1.26372   115.00976   -42.59738
    9     7 S   O2Z  _O12     9     1.26241   114.94872   136.56622
   10     5 S   CT   _CB1    10     1.53082   107.42595  -165.15386
   11    10 S   HC   HB11    11     1.09832   109.39478   -49.68001
   12    10 S   HC   HB12    12     1.09813   110.44076    66.93649
   13    10 S   CT   _CG1    13     1.52983   112.58985  -170.65473
   14    13 S   HC   HG11    14     1.09583   110.62362   -65.23589
   15    13 S   HC   HG12    15     1.09670   109.79252    53.98938
   16    13 S   C    _CD1    16     1.51797   112.25379   174.46381
   17    16 S   O    _OE1    17     1.22730   123.28982     6.35496
   18    16 S   N    _N2_    18     1.38631   111.62247  -173.71372
   19    18 S   H    _HN2    19     1.01581   118.98238     1.80808
   20    18 S   CT1  _CA2    20     1.46250   123.49064   178.00178
   21    20 S   HC   _HA2    21     1.09738   109.32431     4.00433
   22    20 S   C    _C2_    22     1.53618   108.90279  -111.50192
   23    22 S   O    _O2_    23     1.23064   122.27760  -150.37195
   24    20 S   CT   _CB2    32     1.53420   111.31496   125.96269
   25    24 S   HC   HB21    33     1.09375   109.51311    56.29902
   26    24 S   HC   HB22    34     1.09474   109.93329   175.00837
   27    22 S   N    _N3_    24     1.38330   113.80779    37.21572
   28    27 S   H    _HN3    25     1.01565   119.55979    -3.49889
   29    24 S   S    _SG2    35     1.83315   110.98625   -65.64879
   30    27 S   CT   _CA3    26     1.45276   123.22961   177.09991
   31    30 S   HC   HA31    27     1.09549   107.52637   -64.30772
   32    30 S   HC   HA32    28     1.09557   107.97376    52.13626
   33    29 S   CT   _C19    36     1.87545   101.70372   166.19116
   34    30 S   CO3  _C3_    29     1.52958   114.06712   174.11950
   35    34 S   O2Z  _O31    30     1.26377   116.06981    -0.56302
   36    34 S   O2Z  _O32    31     1.26427   114.41551   179.49720
   37    33 S   CM   _C5_    37     1.52533   107.56899    53.53212
   38    37 S   HC   _H22    38     1.09398   112.51373    58.49628
   39    33 S   CT   _C13    46     1.53931   106.95557   -74.48706
   40    39 S   HC   _H33    47     1.09728   111.26134   -59.36219
   41    39 S   HC   _H34    48     1.09434   112.99909    61.15759
   42    39 S   HC   _H35    49     1.09500   111.78088  -178.19919
   43    33 S   CT   _C18    50     1.55868   104.98726   169.41268
   44    43 S   HC   _H45    51     1.10010   109.58109    59.21525
   45    43 S   HC   _H46    52     1.10066   109.82437   -56.84492
   46    37 S   CMA  _C7_    39     1.35567   131.74603  -121.82652
   47    46 S   OM   _O17    40     1.26630   126.75307    -0.50435
   48    43 S   CT   _C15    53     1.53780   114.76425  -178.84513
   49    48 S   HC   _H39    54     1.09219   111.02010   -58.08506
   50    48 S   HC   _H40    55     1.09621   110.44833    59.11935
   51    46 S   OS   _O19    41     1.42434   109.08556  -179.61948
   52    48 S   CM   _C4_    56     1.50378   110.48521   178.04235
   53    52 S   HC   _H21    57     1.08974   113.89073   -77.73622
   54    51 S   CT   _C14    42     1.42691   114.75007  -152.36657
   55    54 S   HC   _H36    43     1.09406   107.75795   173.24736
   56    54 S   HC   _H37    44     1.09533   111.08523    55.14563
   57    54 S   HC   _H38    45     1.09485   111.02460   -68.85066
   58    52 S   CM   _C6_    58     1.34771   127.97889   101.67742
   59    58 S   CT   _C10    59     1.50379   124.84068    -0.18345
   60    59 S   HC   _H24    60     1.09492   110.04002   118.95973
   61    59 S   HC   _H25    61     1.09447   110.48542  -121.43986
   62    59 S   HC   _H26    62     1.09202   113.53515    -1.60766
   63    58 S   CT   _C16    63     1.51737   119.72362   179.88636
   64    63 S   HC   _H41    64     1.09729   110.08563   -15.77015
   65    63 S   HC   _H42    65     1.09742   108.76573  -130.81185
   66    63 S   CT   _C17    66     1.53370   114.19691   107.11447
   67    66 S   HC   _H43    67     1.09645   108.71130   179.06917
   68    66 S   HC   _H44    68     1.09649   110.02772    63.75933
   69    66 S   C3T  _C8_    69     1.49745   112.74394   -57.55848
   70    69 S   HC   _H23    70     1.08334   112.58228    78.71018
   71    69 S   C3T  _C9_    71     1.51937   124.25240   -76.96076
   72    69 S   O3T  _O18    72     1.43564   114.55511  -143.85725
   73    71 S   CT   _C11    73     1.49704   118.20091   158.34532
   74    73 S   HC   _H27    74     1.09482   110.60968   144.35336
   75    73 S   HC   _H28    75     1.09532   111.98783    24.11847
   76    73 S   HC   _H29    76     1.09478   110.15411   -95.89545
   77    71 S   CT   _C12    77     1.49587   122.02972     0.01978
   78    77 S   HC   _H30    78     1.09518   110.41601  -151.64934
   79    77 S   HC   _H31    79     1.09462   110.13043    89.11567
   80    77 S   HC   _H32    80     1.09390   112.73944   -31.72489
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  16   2   1   1  13   5   8   3   2   1   9   5   4   6   2   7
   4   3   4  10   3   3   2   1   1  11   7   3   2   1   9   5
   4   8   5   4  11   4   9   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    39    40    41    42    43    44    45    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    51    39    40    41    42    43    44    45    48    49    50    52  
   35    36  
   36  
    0  
   38    46    47    51    54    39    40    41    42    43    44    45    48  
   46    47    51    39    43  
   40    41    42    43    44    45    48    46  
   41    42    43  
   42    43  
   43  
   44    45    48    49    50    52    53    58    46  
   45    48    49    50    52  
   48    49    50    52  
   47    51    54    55    56    57  
   51    54  
   49    50    52    53    58    59    63  
   50    52    53    58  
   52    53    58  
   54    55    56    57  
   53    58    59    60    61    62    63    64    65    66  
   58    59    63  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    66    67    68    69  
   60    61    62    63    64    65    66  
   61    62    63  
   62    63  
   63  
   64    65    66    67    68    69    70    71    72  
   65    66    67    68    69  
   66    67    68    69  
   67    68    69    70    71    72    73    77  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72    73    74    75    76    77    78    79    80  
   71    72    73    77  
   72    73    74    75    76    77    78    79    80  
   73    74    75    76    77    78    79    80  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   47   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   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   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   72   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    46   465.000  1.376
   46    47   745.000  1.250
   46    51   440.000  1.360
   51    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   317.000  1.510
   52    53   340.000  1.080
   52    58   549.000  1.340
   58    59   317.000  1.510
   58    63   317.000  1.510
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   275.000  1.510
   69    70   340.000  1.088
   69    71   260.000  1.509
   69    72   335.000  1.432
   71    72   335.000  1.432
   71    73   275.000  1.510
   71    77   275.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    46    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    48    58.35000  112.70000
   37    46    47    65.00000  137.10300
   37    46    51    80.00000  120.01400
   46    37    38    40.00000  120.50800
   46    51    54    90.00000  111.18400
   51    46    47    65.00000  121.00000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    52    70.00000  112.02700
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    52    53    35.00000  117.00000
   48    52    58    70.00000  124.00000
   50    48    49    33.00000  107.80000
   52    48    49    35.00000  109.50000
   52    48    50    35.00000  109.50000
   52    58    59    70.00000  124.00000
   52    58    63    70.00000  124.00000
   58    52    53    35.00000  120.00000
   58    59    60    35.00000  109.50000
   58    59    61    35.00000  109.50000
   58    59    62    35.00000  109.50000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    66    70.00000  112.02700
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    58    59    65.00000  117.92700
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    70.00000  112.37300
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    40.00000  115.04500
   66    69    71    60.00000  120.94000
   66    69    72    80.00000  116.47100
   68    66    67    33.00000  107.80000
   69    66    67    45.00000  109.38400
   69    66    68    45.00000  109.38400
   69    71    72    15.00000   60.43100
   69    71    73    60.00000  120.94000
   69    71    77    60.00000  120.94000
   69    72    71    15.00000   59.14900
   71    69    70    37.50000  117.20000
   71    73    74    45.00000  109.38400
   71    73    75    45.00000  109.38400
   71    73    76    45.00000  109.38400
   71    77    78    45.00000  109.38400
   71    77    79    45.00000  109.38400
   71    77    80    45.00000  109.38400
   72    69    70    50.00000  114.27700
   72    69    71    15.00000   60.43100
   73    71    72    80.00000  116.47100
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    71    72    80.00000  116.47100
   77    71    73    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    46   0.42700  1.0 1.0
   29    33    37    46  -0.70350 -1.0 2.0
   29    33    37    46  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    48   0.44750  1.0 1.0
   29    33    43    48  -0.17800 -1.0 2.0
   29    33    43    48   0.20200  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    51   7.00000 -1.0 2.0
   33    43    48    49   0.15000  1.0 3.0
   33    43    48    50   0.15000  1.0 3.0
   33    43    48    52   0.34400  1.0 1.0
   33    43    48    52   0.09450 -1.0 2.0
   33    43    48    52   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    48   0.34400  1.0 1.0
   37    33    43    48   0.09450 -1.0 2.0
   37    33    43    48   0.11100  1.0 3.0
   37    46    51    54  -2.26850  1.0 1.0
   37    46    51    54   3.39050 -1.0 2.0
   38    37    46    47   7.00000 -1.0 2.0
   38    37    46    51   7.00000 -1.0 2.0
   46    51    54    55   0.08050  1.0 3.0
   46    51    54    56   0.08050  1.0 3.0
   46    51    54    57   0.08050  1.0 3.0
   47    46    51    54   2.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    46   0.09850  1.0 1.0
   39    33    37    46   0.15250 -1.0 2.0
   39    33    37    46  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    48   0.56750  1.0 1.0
   39    33    43    48  -0.07550 -1.0 2.0
   39    33    43    48   0.20000  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    46   0.09850  1.0 1.0
   43    33    37    46   0.15250 -1.0 2.0
   43    33    37    46  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   43    48    52    53   0.00000  1.0 1.0
   43    48    52    58   0.09850  1.0 1.0
   43    48    52    58   0.15250 -1.0 2.0
   43    48    52    58  -0.50650  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    52   0.15000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    43    48    50   0.15000  1.0 3.0
   45    43    48    52   0.15000  1.0 3.0
   48    52    58    59   7.00000 -1.0 2.0
   48    52    58    63   7.00000 -1.0 2.0
   49    48    52    53   0.33100  1.0 3.0
   49    48    52    58   0.00000  1.0 1.0
   50    48    52    53   0.33100  1.0 3.0
   50    48    52    58   0.00000  1.0 1.0
   52    58    59    60   0.00000  1.0 1.0
   52    58    59    61   0.00000  1.0 1.0
   52    58    59    62   0.00000  1.0 1.0
   52    58    63    64   0.00000  1.0 1.0
   52    58    63    65   0.00000  1.0 1.0
   52    58    63    66   0.09850  1.0 1.0
   52    58    63    66   0.15250 -1.0 2.0
   52    58    63    66  -0.50650  1.0 3.0
   53    52    58    59   7.00000 -1.0 2.0
   53    52    58    63   7.00000 -1.0 2.0
   58    63    66    67   0.15000  1.0 3.0
   58    63    66    68   0.15000  1.0 3.0
   58    63    66    69   0.34400  1.0 1.0
   58    63    66    69   0.09450 -1.0 2.0
   58    63    66    69   0.11100  1.0 3.0
   59    58    63    64   0.34800  1.0 3.0
   59    58    63    65   0.34800  1.0 3.0
   59    58    63    66   0.46850  1.0 1.0
   59    58    63    66   0.08550 -1.0 2.0
   59    58    63    66   0.09800  1.0 3.0
   63    58    59    60   0.34800  1.0 3.0
   63    58    59    61   0.34800  1.0 3.0
   63    58    59    62   0.34800  1.0 3.0
   63    66    69    70   0.15000  1.0 3.0
   63    66    69    71   0.07850  1.0 1.0
   63    66    69    71  -0.03950 -1.0 2.0
   63    66    69    71   0.67350  1.0 3.0
   63    66    69    72   0.02550  1.0 1.0
   63    66    69    72  -0.02600 -1.0 2.0
   63    66    69    72   1.20400  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   66    69   -71    72   0.02550  1.0 1.0
   66    69   -71    72  -0.02600 -1.0 2.0
   66    69   -71    72   1.20400  1.0 3.0
   66    69    71    73   0.56750  1.0 1.0
   66    69    71    73  -0.07550 -1.0 2.0
   66    69    71    73   0.20000  1.0 3.0
   66    69    71    77   0.56750  1.0 1.0
   66    69    71    77  -0.07550 -1.0 2.0
   66    69    71    77   0.20000  1.0 3.0
   66    69   -72    71   0.06250  1.0 1.0
   66    69   -72    71  -0.01100 -1.0 2.0
   66    69   -72    71   0.28050  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   0.23400  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   0.23400  1.0 3.0
   69    71    73    74   0.15000  1.0 3.0
   69    71    73    75   0.15000  1.0 3.0
   69    71    73    76   0.15000  1.0 3.0
   69    71    77    78   0.15000  1.0 3.0
   69    71    77    79   0.15000  1.0 3.0
   69    71    77    80   0.15000  1.0 3.0
   70    69   -71    72   0.23400  1.0 3.0
   70    69    71    73   0.15000  1.0 3.0
   70    69    71    77   0.15000  1.0 3.0
   70    69   -72    71   0.36800  1.0 3.0
   72    69   -71    73   0.02550  1.0 1.0
   72    69   -71    73  -0.02600 -1.0 2.0
   72    69   -71    73   1.20400  1.0 3.0
   72    69   -71    77   0.02550  1.0 1.0
   72    69   -71    77  -0.02600 -1.0 2.0
   72    69   -71    77   1.20400  1.0 3.0
   72    71    73    74   0.23400  1.0 3.0
   72    71    73    75   0.23400  1.0 3.0
   72    71    73    76   0.23400  1.0 3.0
   72    71    77    78   0.23400  1.0 3.0
   72    71    77    79   0.23400  1.0 3.0
   72    71    77    80   0.23400  1.0 3.0
   73    71   -72    69   0.06250  1.0 1.0
   73    71   -72    69  -0.01100 -1.0 2.0
   73    71   -72    69   0.28050  1.0 3.0
   73    71    77    78   0.15000  1.0 3.0
   73    71    77    79   0.15000  1.0 3.0
   73    71    77    80   0.15000  1.0 3.0
   77    71   -72    69   0.06250  1.0 1.0
   77    71   -72    69  -0.01100 -1.0 2.0
   77    71   -72    69   0.28050  1.0 3.0
   77    71    73    74   0.15000  1.0 3.0
   77    71    73    75   0.15000  1.0 3.0
   77    71    73    76   0.15000  1.0 3.0
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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    46  15.00000 -1.0 2.0
   47    51    46    37  15.00000 -1.0 2.0
   48    53    52    58  15.00000 -1.0 2.0
   59    63    58    52  15.00000 -1.0 2.0
END
