* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    153    214     438
    1     0 S   NP   _N1_     1    28.78204    97.47390   -24.17666
    2     1 S   H    _HN1     2     1.02788   112.49193  -104.02884
    3     1 S   H    _H1_     3     1.02948    69.42590    -1.96364
    4     1 S   H    _H2_     4     1.02827    38.52889   165.17307
    5     1 S   CT   _CA1     5     1.50120   132.39932    97.32178
    6     5 S   HC   _HA1     6     1.09572   105.18340    97.34001
    7     5 S   CO3  _C1_     7     1.53786   112.49156   -22.89756
    8     7 S   O2Z  _O11     8     1.26376   115.00094   -41.75939
    9     7 S   O2Z  _O12     9     1.26240   114.95120   137.35555
   10     5 S   CT   _CB1    10     1.53073   107.41654  -144.65172
   11    10 S   HC   HB11    11     1.09835   109.37746   -49.37092
   12    10 S   HC   HB12    12     1.09812   110.44547    67.24314
   13    10 S   CT   _CG1    13     1.52995   112.61219  -170.32393
   14    13 S   HC   HG11    14     1.09577   110.67462   -66.13473
   15    13 S   HC   HG12    15     1.09670   109.74787    53.10392
   16    13 S   C    _CD1    16     1.51799   112.16145   173.59173
   17    16 S   O    _OE1    17     1.22738   123.25383     9.02761
   18    16 S   N    _N2_    18     1.38636   111.70484  -171.06855
   19    18 S   H    _HN2    19     1.01575   118.96627     1.60669
   20    18 S   CT1  _CA2    20     1.46256   123.44829   177.43318
   21    20 S   HC   _HA2    21     1.09736   109.34737     5.40392
   22    20 S   C    _C2_    22     1.53621   108.62790  -110.10906
   23    22 S   O    _O2_    23     1.23052   122.33494  -147.97380
   24    20 S   CT   _CB2    32     1.53436   111.50179   127.41084
   25    24 S   HC   HB21    33     1.09431   109.44986    56.72429
   26    24 S   HC   HB22    34     1.09416   109.74865   175.69097
   27    22 S   N    _N3_    24     1.38347   113.76153    39.48532
   28    27 S   H    _HN3    25     1.01557   119.60044    -3.17163
   29    24 S   S    _SG2    35     1.83110   111.06694   -64.37895
   30    27 S   CT   _CA3    26     1.45280   123.23323   177.21463
   31    30 S   HC   HA31    27     1.09548   107.49994   -65.03599
   32    30 S   HC   HA32    28     1.09556   108.00794    51.41721
   33    29 S   CT   _C13    36     1.86250   101.58193   176.00924
   34    30 S   CO3  _C3_    29     1.52966   114.05850   173.42380
   35    34 S   O2Z  _O31    30     1.26380   116.07352    -0.60781
   36    34 S   O2Z  _O32    31     1.26426   114.41556   179.45535
   37    33 S   CM   _C11    37     1.51850   110.76107    59.20640
   38    33 S   CT   _C16    82     1.54119   106.99592  -179.05560
   39    38 S   HC   _H32    83     1.09709   112.41740    62.24594
   40    38 S   HC   _H33    84     1.09572   112.94143   -58.77968
   41    38 S   HC   _H34    85     1.09523   110.26590  -179.03998
   42    37 S   CMA  _C10    38     1.36013   123.35294  -113.65089
   43    42 S   OM   _O22    39     1.26405   128.28140   177.83825
   44    37 S   CT   _C21    52     1.53538   116.73423    65.82071
   45    44 S   HC   _H43    53     1.09561   110.42563   -21.05909
   46    44 S   HC   _H44    54     1.09813   109.98533  -135.86353
   47    42 S   CM   _C8_    40     1.49411   119.82333    -1.87503
   48    44 S   CT   _C24    55     1.53586   112.75217   101.63315
   49    48 S   HC   _H49    56     1.09475   109.90204   -49.74288
   50    48 S   HC   _H50    57     1.09639   110.01099    67.34604
   51    47 S   CM   _C9_    41     1.35308   122.52730    -0.86230
   52    47 S   CT   _C14    48     1.52987   118.08968  -179.54458
   53    52 S   HC   _H26    49     1.09592   110.50607   -68.59857
   54    52 S   HC   _H27    50     1.09258   113.89346   170.78049
   55    52 S   HC   _H28    51     1.09663   111.13254    52.81105
   56    48 S   CT   _C23    58     1.53364   111.43277  -171.50740
   57    56 S   HC   _H47    59     1.09745   109.47488    59.67721
   58    56 S   HC   _H48    60     1.09693   109.09552   -57.08608
   59    33 S   CO4  _C12    42     1.53006   106.52357   -65.27069
   60    59 S   O    _O23    43     1.23498   121.01484   -65.22442
   61    51 S   CT   _C15    44     1.50750   125.12183   177.33994
   62    61 S   HC   _H29    45     1.09424   110.30090    86.02829
   63    61 S   HC   _H30    46     1.09415   112.10522   -35.91464
   64    61 S   HC   _H31    47     1.09510   112.05702  -153.52406
   65    56 S   CT   _C18    61     1.53133   112.83224  -177.81117
   66    65 S   HC   _H37    62     1.09618   108.87296   174.33867
   67    65 S   HC   _H38    63     1.09606   109.84449    57.62295
   68    65 S   CZ   _C5_    64     1.46964   112.02348   -64.80053
   69    68 S   CZ   _C4_    65     1.20101   177.33222    40.46561
   70    69 S   CT   _C17    66     1.46945   177.52251    -6.33320
   71    70 S   HC   _H35    67     1.09581   110.25123   119.64606
   72    70 S   HC   _H36    68     1.09633   108.89154  -123.33773
   73    70 S   CT   _C22    69     1.53091   111.66473    -3.18899
   74    73 S   HC   _H45    70     1.09788   108.59910  -168.37490
   75    73 S   HC   _H46    71     1.09848   109.87914   -52.30453
   76    73 S   CT   _C19    72     1.53214   112.81452    70.82379
   77    76 S   HC   _H39    73     1.09607   109.74450    61.82656
   78    76 S   HC   _H40    74     1.09581   110.44791   -55.98495
   79    76 S   CZ   _C6_    75     1.46971   110.98067  -176.72416
   80    79 S   CZ   _C7_    76     1.20111   177.76367    86.12951
   81    80 S   CT   _C20    77     1.46207   178.23342   -12.55484
   82    81 S   HC   _H41    78     1.09399   110.90918  -163.20398
   83    81 S   HC   _H42    79     1.09441   110.54136   -42.57268
   84    81 S   OH   _O24    80     1.42036   109.64447    76.98549
   85    84 S   HO   _H51    81     0.97211   106.99059  -174.45532
  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
  16   2   1   1  18   8   3   2   1  13   4  11   5   4  11   9
   5   4  10   5   2   1   1   7   5   4   5   1   3   2   1   1
   5   3   2   5   7   9   5   4   7   5   4   5   3   2   5   5
   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    59    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    51    59    60    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    47    51    59    60    61    44    45    46    48    38    39    40    41  
   35    36  
   36  
    0  
   42    43    47    51    59    60    52    44    45    46    48    49    50    56    38    39    40    41  
   39    40    41    42    44    51    59    60  
   40    41    59  
   41    59  
   59  
   43    47    51    59    61    52    53    54    55    44    45    46    48  
   47    51    52    44  
   45    46    48    49    50    56    57    58    65    47    59  
   46    48    49    50    56  
   48    49    50    56  
   51    59    60    61    62    63    64    52    53    54    55  
   49    50    56    57    58    65    66    67    68  
   50    56    57    58    65  
   56    57    58    65  
   59    60    61    62    63    64    52    53    54    55  
   53    54    55    59    61  
   54    55  
   55  
    0  
   57    58    65    66    67    68    69  
   58    65    66    67    68  
   65    66    67    68  
   60    61    62    63    64  
   61  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68    69    70  
   67    68    69  
   68    69  
   69    70    71    72    73  
   70    71    72    73    74    75    76  
   71    72    73    74    75    76    77    78    79  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76    77    78    79    80  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80    81  
   78    79    80  
   79    80  
   80    81    82    83    84  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85  
   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  -0.335000   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.976300   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   69   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   80   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   81   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   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    59   317.000  1.522
   33    38   268.000  1.529
   37    42   465.000  1.376
   37    44   317.000  1.510
   42    43   745.000  1.250
   42    47   465.000  1.376
   47    51   549.000  1.340
   47    52   317.000  1.510
   51    59   320.000  1.462
   51    61   317.000  1.510
   59    60   570.000  1.229
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   390.000  1.470
   68    69   985.000  1.221
   69    70   390.000  1.470
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   390.000  1.470
   79    80   985.000  1.221
   80    81   390.000  1.470
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   320.000  1.410
   84    85   553.000  0.945
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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    59    75.00000  110.18000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  124.00000
   33    37    44    65.00000  117.92700
   33    59    51    65.00000  118.62400
   33    59    60    80.00000  120.40000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    47    70.00000  123.01800
   37    44    45    35.00000  109.50000
   37    44    46    35.00000  109.50000
   37    44    48    70.00000  112.02700
   42    47    51    70.00000  117.34000
   42    47    52    70.00000  124.00000
   47    42    43    65.00000  137.10300
   47    51    59    65.00000  118.96000
   47    51    61    70.00000  124.00000
   47    52    53    35.00000  109.50000
   47    52    54    35.00000  109.50000
   47    52    55    35.00000  109.50000
   51    59    60    80.00000  123.72100
   51    61    62    35.00000  109.50000
   51    61    63    35.00000  109.50000
   51    61    64    35.00000  109.50000
   59    33    37    70.00000  109.06800
   61    51    59    65.00000  116.34900
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   52    47    51    70.00000  124.00000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   44    37    42    70.00000  124.00000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    56    58.35000  112.70000
   46    44    45    33.00000  107.80000
   48    44    45    37.50000  110.70000
   48    44    46    37.50000  110.70000
   48    56    57    37.50000  110.70000
   48    56    58    37.50000  110.70000
   48    56    65    58.35000  112.70000
   50    48    49    33.00000  107.80000
   56    48    49    37.50000  110.70000
   56    48    50    37.50000  110.70000
   56    65    66    37.50000  110.70000
   56    65    67    37.50000  110.70000
   56    65    68    58.35000  112.70000
   58    56    57    33.00000  107.80000
   65    56    57    37.50000  110.70000
   65    56    58    37.50000  110.70000
   65    68    69    30.00000  179.48800
   67    65    66    33.00000  107.80000
   68    65    66    35.00000  108.50000
   68    65    67    35.00000  108.50000
   68    69    70    30.00000  179.48800
   69    70    71    35.00000  108.50000
   69    70    72    35.00000  108.50000
   69    70    73    58.35000  112.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    30.00000  179.48800
   78    76    77    33.00000  107.80000
   79    76    77    35.00000  108.50000
   79    76    78    35.00000  108.50000
   79    80    81    30.00000  179.48800
   80    81    82    35.00000  108.50000
   80    81    83    35.00000  108.50000
   80    81    84    90.00000  111.78800
   81    84    85    55.00000  108.50000
   83    81    82    33.00000  107.80000
   84    81    82    35.00000  109.50000
   84    81    83    35.00000  109.50000
   38    33    37    70.00000  112.02700
   38    33    59    63.00000  111.10000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    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    37    44   0.30250  1.0 1.0
   29    33    37    44  -0.14950 -1.0 2.0
   29    33    37    44   0.36900  1.0 3.0
   29    33    59    51   0.65300  1.0 1.0
   29    33    59    51  -0.03850 -1.0 2.0
   29    33    59    51   0.33900  1.0 3.0
   29    33    59    60   0.30150 -1.0 2.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    47   7.00000 -1.0 2.0
   33    37    44    45   0.34800  1.0 3.0
   33    37    44    46   0.34800  1.0 3.0
   33    37    44    48   0.46850  1.0 1.0
   33    37    44    48   0.08550 -1.0 2.0
   33    37    44    48   0.09800  1.0 3.0
   37    33    59    51   0.65300  1.0 1.0
   37    33    59    51  -0.03850 -1.0 2.0
   37    33    59    51   0.33900  1.0 3.0
   37    33    59    60   0.30150 -1.0 2.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42   -47    51   7.00000 -1.0 2.0
   37    42    47    52   7.00000 -1.0 2.0
   37    44    48    49   0.15000  1.0 3.0
   37    44    48    50   0.15000  1.0 3.0
   37    44    48    56   0.34400  1.0 1.0
   37    44    48    56   0.09450 -1.0 2.0
   37    44    48    56   0.11100  1.0 3.0
   42    37    44    45   0.00000  1.0 1.0
   42    37    44    46   0.00000  1.0 1.0
   42    37    44    48   0.09850  1.0 1.0
   42    37    44    48   0.15250 -1.0 2.0
   42    37    44    48  -0.50650  1.0 3.0
   42    47    51    59   7.00000 -1.0 2.0
   42    47    51    61   7.00000 -1.0 2.0
   42    47    52    53   0.00000  1.0 1.0
   42    47    52    54   0.00000  1.0 1.0
   42    47    52    55   0.00000  1.0 1.0
   43    42    47    51   7.00000 -1.0 2.0
   43    42    47    52   7.00000 -1.0 2.0
   47    51   -59    33  -0.33500  1.0 1.0
   47    51   -59    33   1.06600 -1.0 2.0
   47    51   -59    33  -0.14000  1.0 3.0
   47    51    59    60   1.00000 -1.0 2.0
   47    51    61    62   0.00000  1.0 1.0
   47    51    61    63   0.00000  1.0 1.0
   47    51    61    64   0.00000  1.0 1.0
   51    47    52    53   0.00000  1.0 1.0
   51    47    52    54   0.00000  1.0 1.0
   51    47    52    55   0.00000  1.0 1.0
   59    33   -37    42  -0.51250  1.0 1.0
   59    33   -37    42  -0.88800 -1.0 2.0
   59    33   -37    42   0.08850  1.0 3.0
   59    33    37    44   0.17250  1.0 1.0
   59    33    37    44  -0.04100 -1.0 2.0
   59    33    37    44  -0.33850  1.0 3.0
   59    33    38    39  -0.11250  1.0 3.0
   59    33    38    40  -0.11250  1.0 3.0
   59    33    38    41  -0.11250  1.0 3.0
   59    51    61    62   0.15000  1.0 3.0
   59    51    61    63   0.15000  1.0 3.0
   59    51    61    64   0.15000  1.0 3.0
   61    51    59    33   0.25700  1.0 1.0
   61    51    59    33   0.66200 -1.0 2.0
   61    51    59    33   0.04450  1.0 3.0
   61    51    59    60  -0.64400  1.0 1.0
   61    51    59    60   0.26850 -1.0 2.0
   52    47    51    59   7.00000 -1.0 2.0
   52    47    51    61   7.00000 -1.0 2.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    47   7.00000 -1.0 2.0
   44    48    56    57   0.15000  1.0 3.0
   44    48    56    58   0.15000  1.0 3.0
   44    48    56    65   0.56750  1.0 1.0
   44    48    56    65  -0.07550 -1.0 2.0
   44    48    56    65   0.20000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    50   0.15000  1.0 3.0
   45    44    48    56   0.15000  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    50   0.15000  1.0 3.0
   46    44    48    56   0.15000  1.0 3.0
   48    56    65    66   0.15000  1.0 3.0
   48    56    65    67   0.15000  1.0 3.0
   48    56    65    68  -0.74000  1.0 1.0
   48    56    65    68   0.24050 -1.0 2.0
   48    56    65    68   0.24650  1.0 3.0
   49    48    56    57   0.15000  1.0 3.0
   49    48    56    58   0.15000  1.0 3.0
   49    48    56    65   0.15000  1.0 3.0
   50    48    56    57   0.15000  1.0 3.0
   50    48    56    58   0.15000  1.0 3.0
   50    48    56    65   0.15000  1.0 3.0
   56    65    68    69   0.00000  1.0 1.0
   57    56    65    66   0.15000  1.0 3.0
   57    56    65    67   0.15000  1.0 3.0
   57    56    65    68   0.15000  1.0 3.0
   58    56    65    66   0.15000  1.0 3.0
   58    56    65    67   0.15000  1.0 3.0
   58    56    65    68   0.15000  1.0 3.0
   65    68    69    70   0.00000  1.0 1.0
   66    65    68    69   0.00000  1.0 1.0
   67    65    68    69   0.00000  1.0 1.0
   68    69    70    71   0.00000  1.0 1.0
   68    69    70    72   0.00000  1.0 1.0
   68    69    70    73   0.00000  1.0 1.0
   69    70    73    74   0.15000  1.0 3.0
   69    70    73    75   0.15000  1.0 3.0
   69    70    73    76  -0.74000  1.0 1.0
   69    70    73    76   0.24050 -1.0 2.0
   69    70    73    76   0.24650  1.0 3.0
   70    73    76    77   0.15000  1.0 3.0
   70    73    76    78   0.15000  1.0 3.0
   70    73    76    79  -0.74000  1.0 1.0
   70    73    76    79   0.24050 -1.0 2.0
   70    73    76    79   0.24650  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   72    70    73    76   0.15000  1.0 3.0
   73    76    79    80   0.00000  1.0 1.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79   0.15000  1.0 3.0
   76    79    80    81   0.00000  1.0 1.0
   77    76    79    80   0.00000  1.0 1.0
   78    76    79    80   0.00000  1.0 1.0
   79    80    81    82   0.00000  1.0 1.0
   79    80    81    83   0.00000  1.0 1.0
   79    80    81    84   0.00000  1.0 1.0
   80    81    84    85   0.35600  1.0 1.0
   80    81    84    85  -0.10750 -1.0 2.0
   80    81    84    85  -0.54400  1.0 3.0
   82    81    84    85   0.19450  1.0 3.0
   83    81    84    85   0.19450  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    44   0.46850  1.0 1.0
   38    33    37    44   0.08550 -1.0 2.0
   38    33    37    44   0.09800  1.0 3.0
   38    33    59    51   0.65300  1.0 1.0
   38    33    59    51  -0.03850 -1.0 2.0
   38    33    59    51   0.33900  1.0 3.0
   38    33    59    60   0.30150 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    44    37    42   1.10000 -1.0 2.0
   47    43    42    37   1.10000 -1.0 2.0
   42    52    47    51   1.10000 -1.0 2.0
   59    61    51    47   1.10000 -1.0 2.0
   33    51    59    60  10.50000 -1.0 2.0
END
