* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    158    261     476
    1     0 S   NP   _N1_     1    28.24475    97.15716   -22.02219
    2     1 S   H    _HN1     2     1.02957    72.20730    -4.21608
    3     1 S   H    _H1_     3     1.02835    40.29578   144.51522
    4     1 S   H    _H2_     4     1.02777   100.58666  -110.24583
    5     1 S   CT   _CA1     5     1.50130   143.29401    96.25495
    6     5 S   HC   _HA1     6     1.09576   105.21159    90.25083
    7     5 S   CO3  _C1_     7     1.53781   112.36112   -29.93159
    8     7 S   O2Z  _O11     8     1.26365   114.99766   -44.02826
    9     7 S   O2Z  _O12     9     1.26236   114.92900   135.05551
   10     5 S   CT   _CB1    10     1.53094   107.41974  -151.85163
   11    10 S   HC   HB11    11     1.09828   109.31780   -50.56020
   12    10 S   HC   HB12    12     1.09816   110.43559    65.99186
   13    10 S   CT   _CG1    13     1.53020   112.67347  -171.63214
   14    13 S   HC   HG11    14     1.09594   110.49559   -64.66267
   15    13 S   HC   HG12    15     1.09658   109.91321    54.53994
   16    13 S   C    _CD1    16     1.51841   112.30855   174.89712
   17    16 S   O    _OE1    17     1.22756   123.29085     0.75121
   18    16 S   N    _N2_    18     1.38558   111.72339  -179.25585
   19    18 S   H    _HN2    19     1.01562   119.03126     4.28738
   20    18 S   CT1  _CA2    20     1.45777   122.86830   177.71176
   21    20 S   HC   _HA2    21     1.09736   108.97434    23.61973
   22    20 S   C    _C2_    22     1.53016   107.29907   -93.30196
   23    22 S   O    _O2_    23     1.22957   123.16389   -22.86536
   24    20 S   CT   _CB2    32     1.53227   112.27633   146.74800
   25    24 S   HC   HB21    33     1.09563   109.90148    54.37608
   26    24 S   HC   HB22    34     1.09322   109.63078   172.83555
   27    22 S   N    _N3_    24     1.38525   112.43946   159.82322
   28    27 S   H    _HN3    25     1.01650   120.30630    -2.58725
   29    24 S   S    _SG2    35     1.83035   111.16060   -66.09249
   30    27 S   CT   _CA3    26     1.45342   122.62192   177.89011
   31    30 S   HC   HA31    27     1.09569   107.97504   -52.46078
   32    30 S   HC   HA32    28     1.09558   107.49208    63.94363
   33    29 S   CT   _C18    36     1.88167   101.25828  -166.69063
   34    30 S   CO3  _C3_    29     1.52917   114.20657  -174.35784
   35    34 S   O2Z  _O31    30     1.26352   116.03582     2.23843
   36    34 S   O2Z  _O32    31     1.26429   114.43023  -177.80652
   37    33 S   CM   _C17    37     1.52563   104.84218  -167.56481
   38    37 S   HC   _H18    38     1.09101   116.24437   -73.79317
   39    33 S   CT   _C19    74     1.55069   106.81917    76.48445
   40    39 S   HC   _H19    75     1.09805   111.54022    89.43150
   41    39 S   HC   _H20    76     1.09755   111.88101   -27.80308
   42    37 S   CMA  _C16    39     1.35170   126.34741   105.94417
   43    42 S   OM   _O33    40     1.26169   129.62327   178.90425
   44    42 S   CT   _C15    41     1.52728   118.92641    -2.00486
   45    44 S   HC   _H16    42     1.10031   108.76760   106.44155
   46    44 S   HC   _H17    43     1.10004   110.82696  -136.55388
   47    44 S   CT   _C14    44     1.53513   114.55767   -15.35870
   48    47 S   HC   _H14    45     1.09634   109.99781   -74.72601
   49    47 S   HC   _H15    46     1.09144   108.21335   171.23301
   50    33 S   CM   _C13    47     1.53884   110.14384   -49.00063
   51    50 S   CM   _C12    48     1.35754   122.74389   114.79037
   52    51 S   CM   _C11    49     1.47050   123.67636  -178.92062
   53    52 S   HC   _H13    50     1.08349   119.15626     3.24842
   54    52 S   CM   _C10    51     1.34559   124.36529  -178.47376
   55    54 S   HC   _H12    52     1.08645   119.48243  -177.15359
   56    54 S   CT   _C9_    53     1.50554   122.03445    -0.02798
   57    56 S   CT   _C8_    54     1.54607   107.16534    29.02866
   58    57 S   HC   _H3_    55     1.10243   109.37231    59.37229
   59    56 S   CT   _C22    77     1.55290   106.31991   -93.38603
   60    59 S   HC   _H23    78     1.09447   112.54264   176.79790
   61    59 S   HC   _H24    79     1.09566   112.42838    55.62054
   62    59 S   HC   _H25    80     1.09711   110.87654   -63.17662
   63    57 S   CT   _C7_    56     1.52333   103.48711   171.83891
   64    63 S   HC   _H10    57     1.09481   111.99903  -155.50419
   65    63 S   HC   _H11    58     1.09559   111.58078    83.88862
   66    51 S   CT   _C21    69     1.53869   120.22184     4.38986
   67    66 S   HC   _H4_    70     1.09731   108.30845   -90.32216
   68    63 S   CT   _C6_    59     1.54125   104.12876   -35.29807
   69    68 S   HC   _H8_    60     1.09643   109.90215   130.90222
   70    68 S   HC   _H9_    61     1.09611   110.23322  -111.82869
   71    66 S   CT   _C20    71     1.53349   110.79946    28.15141
   72    71 S   HC   _H21    72     1.09615   110.38919  -178.30234
   73    71 S   HC   _H22    73     1.09760   111.04704    63.18200
   74    56 S   CT   _C5_    62     1.55794   118.84528   141.36323
   75    74 S   CT   _C4_    63     1.53511   114.99555   -35.44218
   76    75 S   HC   _H5_    64     1.09552   110.94752    65.13124
   77    75 S   HC   _H6_    65     1.09306   113.14671   -57.17968
   78    75 S   HC   _H7_    66     1.09669   110.36312  -177.89978
   79    74 S   OH   _O34    67     1.42610   111.19707    86.27218
   80    79 S   HO   _H26    68     0.97252   107.93842   171.34883
  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  11   5   4   3
  18   2   1   1  13   5  12   6   5   8   4   7   5   4   6   3
   2   8  13  10   4  14   4  22  19   9   9   3   2   1  11   6
   5   6   3   9   4   3   2   1   1   6   5   3   2   1   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    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    50    51    71    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    47    48    49    50    51    52    66    71    72    73    39    40    41  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    50    51    71    39    40    41  
   42    43    44    50    39  
   40    41    42    47    50    51    57    66    67    71    72    73  
   41    50    66    71    72    73  
   50    66    71    72    73  
   43    44    45    46    47    48    49    50  
   44    45    46    47  
   45    46    47    48    49    50    51  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    66  
   49    50    51  
   50    51  
   51    52    53    54    57    66    67    71  
   52    53    54    55    56    57    58    63    66    67    71    72    73  
   53    54    55    56    57    74    66    67    71    59  
   54    55    56    66  
   55    56    57    58    63    68    74    75    79    66    59    60    61    62  
   56    57    74    59  
   57    58    63    64    65    68    69    70    74    75    76    77    78    79    80    66    67    71    59    60    61    62  
   58    63    64    65    68    69    70    74    75    79    66    67    71    72    73    59    60    61    62  
   63    64    65    68    74    66    67    71    59  
   60    61    62    63    66    68    74    75    79  
   61    62    74  
   62    74  
   74  
   64    65    68    69    70    74    75    79    66    67    71  
   65    68    69    70    74    66  
   68    69    70    74    66  
   67    71    72    73    68    74  
   71    72    73  
   69    70    74    75    76    77    78    79    80  
   70    74    75    79  
   74    75    79  
   72    73  
   73  
    0  
   75    76    77    78    79    80  
   76    77    78    79    80  
   77    78    79  
   78    79  
   79  
   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  -0.120000   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   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   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    50   317.000  1.510
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   270.000  1.512
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   317.000  1.510
   50    51   549.000  1.340
   51    52   380.000  1.444
   51    66   317.000  1.510
   52    53   340.000  1.080
   52    54   549.000  1.340
   54    55   340.000  1.080
   54    56   317.000  1.510
   56    57   268.000  1.529
   56    74   268.000  1.529
   56    59   268.000  1.529
   57    58   340.000  1.090
   57    63   268.000  1.529
   57    66   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    74   268.000  1.529
   74    75   268.000  1.529
   74    79   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   553.000  0.945
   66    67   340.000  1.090
   66    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   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    50    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    50    47    65.00000  117.92700
   33    50    51    70.00000  124.00000
   33    39    71    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    44    45    45.00000  110.52000
   42    44    46    45.00000  110.52000
   42    44    47    70.00000  112.02700
   44    42    43    85.00000  112.85300
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    70.00000  112.02700
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    70.00000  124.00000
   49    47    48    33.00000  107.80000
   50    33    37    70.00000  110.12100
   50    47    48    35.00000  109.50000
   50    47    49    35.00000  109.50000
   50    51    52    70.00000  123.01800
   50    51    66    70.00000  124.00000
   51    52    53    35.00000  120.00000
   51    52    54    70.00000  123.01800
   51    66    57    70.00000  112.02700
   51    66    67    35.00000  109.50000
   51    66    71    70.00000  112.02700
   52    54    55    35.00000  120.00000
   52    54    56    70.00000  124.00000
   54    52    53    35.00000  120.00000
   54    56    57    70.00000  112.02700
   54    56    74    70.00000  112.02700
   54    56    59    70.00000  112.02700
   56    54    55    35.00000  117.00000
   56    57    58    37.50000  110.70000
   56    57    63    58.35000  112.70000
   56    57    66    58.35000  112.70000
   56    74    68    58.35000  112.70000
   56    74    75    58.35000  112.70000
   56    74    79    50.00000  109.50000
   56    59    60    37.50000  110.70000
   56    59    61    37.50000  110.70000
   56    59    62    37.50000  110.70000
   57    63    64    37.50000  110.70000
   57    63    65    37.50000  110.70000
   57    63    68    58.35000  112.70000
   57    66    67    37.50000  110.70000
   57    66    71    58.35000  112.70000
   63    57    58    37.50000  110.70000
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    74    58.35000  112.70000
   65    63    64    33.00000  107.80000
   68    63    64    37.50000  110.70000
   68    63    65    37.50000  110.70000
   68    74    75    58.35000  112.70000
   68    74    79    50.00000  109.50000
   70    68    69    33.00000  107.80000
   74    56    57    58.35000  112.70000
   74    68    69    37.50000  110.70000
   74    68    70    37.50000  110.70000
   74    75    76    37.50000  110.70000
   74    75    77    37.50000  110.70000
   74    75    78    37.50000  110.70000
   74    79    80    55.00000  108.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    74    75    50.00000  109.50000
   66    51    52    70.00000  124.00000
   66    57    58    37.50000  110.70000
   66    57    63    58.35000  112.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    39    58.35000  112.70000
   71    66    67    37.50000  110.70000
   71    39    40    37.50000  110.70000
   71    39    41    37.50000  110.70000
   73    71    72    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    50    70.00000  112.02700
   39    71    72    37.50000  110.70000
   39    71    73    37.50000  110.70000
   41    39    40    33.00000  107.80000
   59    56    57    58.35000  112.70000
   59    56    74    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    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    50  -0.62250  1.0 1.0
   24    29    33    50  -0.38450 -1.0 2.0
   24    29    33    50   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
   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    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    50    47   0.30250  1.0 1.0
   29    33    50    47  -0.14950 -1.0 2.0
   29    33    50    47   0.36900  1.0 3.0
   29    33    50    51   0.42700  1.0 1.0
   29    33    50    51  -0.70350 -1.0 2.0
   29    33    50    51  -0.43150  1.0 3.0
   29    33    39    71   0.44750  1.0 1.0
   29    33    39    71  -0.17800 -1.0 2.0
   29    33    39    71   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    50    51    52   7.00000 -1.0 2.0
   33    50    51    66   7.00000 -1.0 2.0
   37    33    50    47   0.09700  1.0 1.0
   37    33    50    47   0.15600 -1.0 2.0
   37    33    50    47  -0.50800  1.0 3.0
   37    33    50    51  -0.28300  1.0 1.0
   37    33    50    51   0.26700 -1.0 2.0
   37    33    50    51  -0.63300  1.0 3.0
   37    33    39    71   0.34400  1.0 1.0
   37    33    39    71   0.09450 -1.0 2.0
   37    33    39    71   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    42    44    45   0.00000  1.0 1.0
   37    42    44    46   0.00000  1.0 1.0
   37    42   -44    47   0.09850  1.0 1.0
   37    42   -44    47   0.15250 -1.0 2.0
   37    42   -44    47  -0.50650  1.0 3.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    44   7.00000 -1.0 2.0
   42    44    47    48   0.15000  1.0 3.0
   42    44    47    49   0.15000  1.0 3.0
   42    44    47    50   0.31000  1.0 1.0
   42    44    47    50   0.14700 -1.0 2.0
   42    44    47    50   0.07550  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    46   0.00000  1.0 1.0
   43    42    44    47   0.09700  1.0 1.0
   43    42    44    47   0.15600 -1.0 2.0
   43    42    44    47  -0.50800  1.0 3.0
   44    47   -50    33   0.46850  1.0 1.0
   44    47   -50    33   0.08550 -1.0 2.0
   44    47   -50    33   0.09800  1.0 3.0
   44    47    50    51   0.09850  1.0 1.0
   44    47    50    51   0.15250 -1.0 2.0
   44    47    50    51  -0.50650  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    50   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   46    44    47    50   0.15000  1.0 3.0
   47    50    51    52   7.00000 -1.0 2.0
   47    50    51    66   7.00000 -1.0 2.0
   48    47    50    33   0.34800  1.0 3.0
   48    47    50    51   0.00000  1.0 1.0
   49    47    50    33   0.34800  1.0 3.0
   49    47    50    51   0.00000  1.0 1.0
   50    33    37    38   0.00000  1.0 1.0
   50    33   -37    42  -0.28300  1.0 1.0
   50    33   -37    42   0.26700 -1.0 2.0
   50    33   -37    42  -0.63300  1.0 3.0
   50    33    39    71   0.34400  1.0 1.0
   50    33    39    71   0.09450 -1.0 2.0
   50    33    39    71   0.11100  1.0 3.0
   50    33    39    40   0.15000  1.0 3.0
   50    33    39    41   0.15000  1.0 3.0
   50    51    52    53  -0.18600  1.0 3.0
   50    51    52    54   0.28850  1.0 1.0
   50    51    52    54   2.61350 -1.0 2.0
   50    51    52    54   0.78400  1.0 3.0
   50    51    66    57   0.09850  1.0 1.0
   50    51    66    57   0.15250 -1.0 2.0
   50    51    66    57  -0.50650  1.0 3.0
   50    51    66    67   0.00000  1.0 1.0
   50    51   -66    71   0.09850  1.0 1.0
   50    51   -66    71   0.15250 -1.0 2.0
   50    51   -66    71  -0.50650  1.0 3.0
   51    52    54    55   7.00000 -1.0 2.0
   51    52    54    56   7.00000 -1.0 2.0
   51    66    71    72   0.15000  1.0 3.0
   51    66    71    73   0.15000  1.0 3.0
   51    66    71    39   0.34400  1.0 1.0
   51    66    71    39   0.09450 -1.0 2.0
   51    66    71    39   0.11100  1.0 3.0
   52    51    66    57   0.98200  1.0 1.0
   52    51    66    57  -0.11900 -1.0 2.0
   52    51    66    57   0.24250  1.0 3.0
   52    51    66    67   0.00000  1.0 1.0
   52    51    66    71   0.98200  1.0 1.0
   52    51    66    71  -0.11900 -1.0 2.0
   52    51    66    71   0.24250  1.0 3.0
   52    54   -56    57   0.09850  1.0 1.0
   52    54   -56    57   0.15250 -1.0 2.0
   52    54   -56    57  -0.50650  1.0 3.0
   52    54    56    74   0.09850  1.0 1.0
   52    54    56    74   0.15250 -1.0 2.0
   52    54    56    74  -0.50650  1.0 3.0
   52    54    56    59   0.09850  1.0 1.0
   52    54    56    59   0.15250 -1.0 2.0
   52    54    56    59  -0.50650  1.0 3.0
   53    52    54    55   7.00000 -1.0 2.0
   53    52    54    56   7.00000 -1.0 2.0
   54    56    57    58   0.15000  1.0 3.0
   54    56    57    63   0.34400  1.0 1.0
   54    56    57    63   0.09450 -1.0 2.0
   54    56    57    63   0.11100  1.0 3.0
   54    56    57    66   0.34400  1.0 1.0
   54    56    57    66   0.09450 -1.0 2.0
   54    56    57    66   0.11100  1.0 3.0
   54    56    74    68   0.34400  1.0 1.0
   54    56    74    68   0.09450 -1.0 2.0
   54    56    74    68   0.11100  1.0 3.0
   54    56    74    75   0.34400  1.0 1.0
   54    56    74    75   0.09450 -1.0 2.0
   54    56    74    75   0.11100  1.0 3.0
   54    56    74    79   1.05650  1.0 1.0
   54    56    74    79   0.15600 -1.0 2.0
   54    56    74    79   0.53150  1.0 3.0
   54    56    59    60   0.15000  1.0 3.0
   54    56    59    61   0.15000  1.0 3.0
   54    56    59    62   0.15000  1.0 3.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    74   0.00000  1.0 1.0
   55    54    56    59   0.00000  1.0 1.0
   56    57    63    64   0.15000  1.0 3.0
   56    57    63    65   0.15000  1.0 3.0
   56    57   -63    68   0.56750  1.0 1.0
   56    57   -63    68  -0.07550 -1.0 2.0
   56    57   -63    68   0.20000  1.0 3.0
   56    57   -66    51   0.34400  1.0 1.0
   56    57   -66    51   0.09450 -1.0 2.0
   56    57   -66    51   0.11100  1.0 3.0
   56    57    66    67   0.15000  1.0 3.0
   56    57    66    71   0.56750  1.0 1.0
   56    57    66    71  -0.07550 -1.0 2.0
   56    57    66    71   0.20000  1.0 3.0
   56    74    75    76   0.15000  1.0 3.0
   56    74    75    77   0.15000  1.0 3.0
   56    74    75    78   0.15000  1.0 3.0
   56    74    79    80  -0.11600  1.0 1.0
   56    74    79    80  -0.09450 -1.0 2.0
   56    74    79    80   0.21250  1.0 3.0
   57    56   -74    68   0.56750  1.0 1.0
   57    56   -74    68  -0.07550 -1.0 2.0
   57    56   -74    68   0.20000  1.0 3.0
   57    56    74    75   0.56750  1.0 1.0
   57    56    74    75  -0.07550 -1.0 2.0
   57    56    74    75   0.20000  1.0 3.0
   57    56    74    79   0.86500  1.0 1.0
   57    56    74    79  -0.17500 -1.0 2.0
   57    56    74    79   0.20800  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    62   0.15000  1.0 3.0
   57    63    68    69   0.15000  1.0 3.0
   57    63    68    70   0.15000  1.0 3.0
   57    63   -68    74   0.56750  1.0 1.0
   57    63   -68    74  -0.07550 -1.0 2.0
   57    63   -68    74   0.20000  1.0 3.0
   57    66    71    72   0.15000  1.0 3.0
   57    66    71    73   0.15000  1.0 3.0
   57    66    71    39   0.56750  1.0 1.0
   57    66    71    39  -0.07550 -1.0 2.0
   57    66    71    39   0.20000  1.0 3.0
   58    57    63    64   0.15000  1.0 3.0
   58    57    63    65   0.15000  1.0 3.0
   58    57    63    68   0.15000  1.0 3.0
   58    57    66    51   0.15000  1.0 3.0
   58    57    66    67   0.15000  1.0 3.0
   58    57    66    71   0.15000  1.0 3.0
   63    57    66    51   0.34400  1.0 1.0
   63    57    66    51   0.09450 -1.0 2.0
   63    57    66    51   0.11100  1.0 3.0
   63    57    66    67   0.15000  1.0 3.0
   63    57    66    71   0.56750  1.0 1.0
   63    57    66    71  -0.07550 -1.0 2.0
   63    57    66    71   0.20000  1.0 3.0
   63    68   -74    56   0.56750  1.0 1.0
   63    68   -74    56  -0.07550 -1.0 2.0
   63    68   -74    56   0.20000  1.0 3.0
   63    68    74    75   0.56750  1.0 1.0
   63    68    74    75  -0.07550 -1.0 2.0
   63    68    74    75   0.20000  1.0 3.0
   63    68    74    79   0.86500  1.0 1.0
   63    68    74    79  -0.17500 -1.0 2.0
   63    68    74    79   0.20800  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   64    63    68    74   0.15000  1.0 3.0
   65    63    68    69   0.15000  1.0 3.0
   65    63    68    70   0.15000  1.0 3.0
   65    63    68    74   0.15000  1.0 3.0
   68    74    75    76   0.15000  1.0 3.0
   68    74    75    77   0.15000  1.0 3.0
   68    74    75    78   0.15000  1.0 3.0
   68    74    79    80  -0.11600  1.0 1.0
   68    74    79    80  -0.09450 -1.0 2.0
   68    74    79    80   0.21250  1.0 3.0
   69    68    74    56   0.15000  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    79   0.23400  1.0 3.0
   70    68    74    56   0.15000  1.0 3.0
   70    68    74    75   0.15000  1.0 3.0
   70    68    74    79   0.23400  1.0 3.0
   74    56    57    58   0.15000  1.0 3.0
   74    56   -57    63   0.56750  1.0 1.0
   74    56   -57    63  -0.07550 -1.0 2.0
   74    56   -57    63   0.20000  1.0 3.0
   74    56    57    66   0.56750  1.0 1.0
   74    56    57    66  -0.07550 -1.0 2.0
   74    56    57    66   0.20000  1.0 3.0
   74    56    59    60   0.15000  1.0 3.0
   74    56    59    61   0.15000  1.0 3.0
   74    56    59    62   0.15000  1.0 3.0
   75    74    79    80  -0.11600  1.0 1.0
   75    74    79    80  -0.09450 -1.0 2.0
   75    74    79    80   0.21250  1.0 3.0
   79    74    75    76   0.23400  1.0 3.0
   79    74    75    77   0.23400  1.0 3.0
   79    74    75    78   0.23400  1.0 3.0
   66    51    52    53   0.00000  1.0 1.0
   66    51   -52    54  -0.18600  1.0 3.0
   66    57    63    64   0.15000  1.0 3.0
   66    57    63    65   0.15000  1.0 3.0
   66    57    63    68   0.56750  1.0 1.0
   66    57    63    68  -0.07550 -1.0 2.0
   66    57    63    68   0.20000  1.0 3.0
   66    71   -39    33   0.56750  1.0 1.0
   66    71   -39    33  -0.07550 -1.0 2.0
   66    71   -39    33   0.20000  1.0 3.0
   66    71    39    40   0.15000  1.0 3.0
   66    71    39    41   0.15000  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    39   0.15000  1.0 3.0
   72    71    39    33   0.15000  1.0 3.0
   72    71    39    40   0.15000  1.0 3.0
   72    71    39    41   0.15000  1.0 3.0
   73    71    39    33   0.15000  1.0 3.0
   73    71    39    40   0.15000  1.0 3.0
   73    71    39    41   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    50    47   0.46850  1.0 1.0
   39    33    50    47   0.08550 -1.0 2.0
   39    33    50    47   0.09800  1.0 3.0
   39    33   -50    51   0.09850  1.0 1.0
   39    33   -50    51   0.15250 -1.0 2.0
   39    33   -50    51  -0.50650  1.0 3.0
   59    56    57    58   0.15000  1.0 3.0
   59    56    57    63   0.56750  1.0 1.0
   59    56    57    63  -0.07550 -1.0 2.0
   59    56    57    63   0.20000  1.0 3.0
   59    56    57    66   0.56750  1.0 1.0
   59    56    57    66  -0.07550 -1.0 2.0
   59    56    57    66   0.20000  1.0 3.0
   59    56    74    68   0.56750  1.0 1.0
   59    56    74    68  -0.07550 -1.0 2.0
   59    56    74    68   0.20000  1.0 3.0
   59    56    74    75   0.56750  1.0 1.0
   59    56    74    75  -0.07550 -1.0 2.0
   59    56    74    75   0.20000  1.0 3.0
   59    56    74    79   0.86500  1.0 1.0
   59    56    74    79  -0.17500 -1.0 2.0
   59    56    74    79   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   33    47    50    51   1.10000 -1.0 2.0
   52    66    51    50   1.10000 -1.0 2.0
   51    53    52    54   1.10000 -1.0 2.0
   56    55    54    52   1.10000 -1.0 2.0
END
