* LIGAND DATABASE FILE (OPLS2005)
*
001      79    83    154    242     447
    1     0 S   NP   _N1_     1    28.84526    96.31053   -20.93562
    2     1 S   H    _HN1     2     1.02805    93.99205  -114.43137
    3     1 S   H    _H1_     3     1.02888    74.01228    -6.71793
    4     1 S   H    _H2_     4     1.02890    42.70299   133.64825
    5     1 S   CT   _CA1     5     1.50253   149.18325    97.64534
    6     5 S   HC   _HA1     6     1.09675   104.87295    86.67162
    7     5 S   CO3  _C1_     7     1.54136   111.05231   -30.84138
    8     7 S   O2Z  _O11     8     1.26139   116.02538   -90.50700
    9     7 S   O2Z  _O12     9     1.26423   114.15054    87.59153
   10     5 S   CT   _CB1    10     1.53081   107.15508  -157.19874
   11    10 S   HC   HB11    11     1.09840   109.53303   -49.67799
   12    10 S   HC   HB12    12     1.09773   110.63048    66.94948
   13    10 S   CT   _CG1    13     1.52954   112.15538  -170.32691
   14    13 S   HC   HG11    14     1.09490   110.63730   -63.67393
   15    13 S   HC   HG12    15     1.09664   109.79661    55.43925
   16    13 S   C    _CD1    16     1.51752   112.15363   176.12788
   17    16 S   O    _OE1    17     1.22740   123.24722     9.42892
   18    16 S   N    _N2_    18     1.38634   111.75832  -170.97836
   19    18 S   H    _HN2    19     1.01589   118.98222     2.34752
   20    18 S   CT1  _CA2    20     1.46304   123.35723   179.40851
   21    20 S   HC   _HA2    21     1.09724   109.32957     4.53462
   22    20 S   C    _C2_    22     1.53502   109.02294  -111.29407
   23    22 S   O    _O2_    23     1.23075   122.14807  -149.55330
   24    20 S   CT   _CB2    32     1.53325   111.27195   126.34553
   25    24 S   HC   HB21    33     1.09563   109.46735    58.35070
   26    24 S   HC   HB22    34     1.09489   110.80273   177.34745
   27    22 S   N    _N3_    24     1.38280   113.84186    37.83990
   28    27 S   H    _HN3    25     1.01576   119.58088    -3.33337
   29    24 S   S    _SG2    35     1.82648   111.25122   -62.44899
   30    27 S   CT   _CA3    26     1.45287   123.23274   177.18012
   31    30 S   HC   HA31    27     1.09549   107.48148   -65.15344
   32    30 S   HC   HA32    28     1.09556   108.01870    51.29081
   33    29 S   CT   _C20    36     1.86995    99.43059   165.60526
   34    33 S   HC   _H5_    37     1.09658   107.90307   -19.61915
   35    30 S   CO3  _C3_    29     1.52963   114.07690   173.28131
   36    35 S   O2Z  _O31    30     1.26379   116.06754    -1.57868
   37    35 S   O2Z  _O32    31     1.26430   114.41015   178.49624
   38    33 S   CT   _C19    38     1.54216   106.14896    96.23138
   39    38 S   HC   _H4_    39     1.09837   109.21323   -46.88071
   40    38 S   CO4  _C18    40     1.52354   110.31322    72.29532
   41    40 S   O    _O33    41     1.23015   121.91865  -147.19185
   42    38 S   OS   _O34    75     1.42258   109.26241  -165.65323
   43    40 S   CM   _C17    42     1.48021   118.56012    35.89404
   44    43 S   HC   _H17    43     1.08432   116.78618   166.83416
   45    42 S   CT   _C21    76     1.42125   113.61508   161.26878
   46    45 S   HC   _H18    77     1.09344   108.13284  -177.30267
   47    45 S   HC   _H19    78     1.09325   110.98457    64.10401
   48    45 S   HC   _H20    79     1.09417   110.66517   -58.69619
   49    43 S   CM   _C16    44     1.34108   120.89041    -8.47359
   50    49 S   CT   _C15    45     1.50981   121.86014   170.23497
   51    50 S   HC   _H3_    46     1.09887   109.18866     4.04854
   52    33 S   CT   _C7_    58     1.57642   112.21933  -138.26863
   53    50 S   CT   _C14    47     1.54194   107.87051   119.74297
   54    53 S   HC   _H15    48     1.09912   108.64185   -70.53575
   55    53 S   HC   _H16    49     1.09604   110.11831   173.46481
   56    52 S   CT   _C6_    59     1.55890   113.10591   164.10437
   57    56 S   HC   _H11    60     1.09580   110.92985    56.74615
   58    56 S   HC   _H12    61     1.09749   110.93693   -61.09884
   59    50 S   NT   _N4_    65     1.48168   108.57044  -111.48852
   60    53 S   CA   _C13    50     1.51016   114.52588    49.07510
   61    56 S   CT   _C5_    62     1.54794   112.28537   176.73451
   62    61 S   HC   _H9_    63     1.09674   110.05927    74.11421
   63    61 S   HC   _H10    64     1.09739   107.62645  -170.75790
   64    59 S   CT   _C4_    66     1.45881   113.38990   177.87560
   65    64 S   HC   _H6_    67     1.09547   110.89645   -50.78335
   66    64 S   HC   _H7_    68     1.09583   110.27728  -168.50758
   67    64 S   HC   _H8_    69     1.09504   112.55059    71.00837
   68    60 S   CA   _C12    51     1.40616   118.43890   162.28434
   69    68 S   HA   _H14    52     1.08531   121.18630     1.25054
   70    68 S   CA   _C11    53     1.37722   118.30676  -177.93977
   71    70 S   CA   _C10    54     1.37127   121.63935     0.14537
   72    71 S   CA   _C9_    55     1.37926   121.75744    -0.50046
   73    72 S   HA   _H13    56     1.08449   119.52077   178.71793
   74    71 S   OS   _O36    70     1.36093   112.41831   179.51261
   75    60 S   CA   _C8_    57     1.42358   121.04051   -17.85504
   76    74 S   CO   _C22    71     1.44286   100.91011     0.30390
   77    76 S   HC   _H21    72     1.09596   108.64772  -121.65726
   78    76 S   HC   _H22    73     1.09598   108.62485   120.23142
   79    70 S   OS   _O35    74     1.35992   125.95286   179.25717
  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  10   5   4   3
  18   8   2   1   1  14   6   8   4   6   9   3   3   2   1   1
  15  17   8  14  11   5   4  10   6   5   8   8   7   2   1   3
   2   1   1   8   4   9   8   5   2   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    75    52    56    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    50    60    72    75    52    56    57    58    61    42    45  
   38    39    40    49    75    52    56    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    75    52    56    42    45    46    47    48  
   40    41    43    52    42    45  
   41    43    44    49    50    52    42    45  
   43    44    49    42  
   45    46    47    48    43    52  
   44    49    50    51    53    75    52    56    59  
   49    50    52  
   46    47    48  
   47    48  
   48  
    0  
   50    51    53    54    55    60    72    75    52    56    57    58    61    59    64  
   51    53    54    55    60    68    75    52    56    61    62    63    59    64    65    66    67  
   53    54    55    60    52    61    59    64  
   56    57    58    61    62    63    59    53    60    68    71    72    73    75  
   54    55    60    68    69    70    72    75    61    59    64  
   55    60    68    75    59  
   60    68    75    59  
   57    58    61    62    63    59    64    60    72    75  
   58    61    62    63    59    75  
   61    62    63    59    75  
   64    65    66    67    60    61    62    63  
   68    69    70    71    72    73    75    79  
   62    63    64    65    66    67    75  
   63    64  
   64  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71    72    75    74    76    79  
   70    71    75    79  
   71    72    73    75    74    76    77    78    79  
   72    73    75    74    76    77    78    79  
   73    75    74    76    79  
   75    74  
   76    77    78    79    75  
    0  
   77    78    79  
   78    79  
   79  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   79   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    52   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   320.000  1.410
   40    41   570.000  1.229
   40    43   320.000  1.462
   43    44   340.000  1.080
   43    49   549.000  1.340
   49    50   317.000  1.510
   49    52   317.000  1.510
   50    51   340.000  1.090
   50    53   268.000  1.529
   50    59   382.000  1.448
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   317.000  1.510
   60    68   469.000  1.400
   60    75   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   469.000  1.400
   70    79   450.000  1.364
   71    72   469.000  1.400
   71    74   450.000  1.364
   72    73   367.000  1.080
   72    75   469.000  1.400
   75    52   317.000  1.510
   52    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    59   382.000  1.448
   59    64   382.000  1.448
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   74    76   320.000  1.380
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   320.000  1.380
   42    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    52    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    52    49    70.00000  112.02700
   33    52    75    70.00000  112.17500
   33    52    56    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    43    65.00000  118.62400
   38    42    45    60.00000  109.50000
   40    38    39    35.00000  109.50000
   40    43    44    40.00000  117.72500
   40    43    49    65.00000  118.96000
   43    40    41    80.00000  123.72100
   43    49    50    70.00000  124.00000
   43    49    52    70.00000  124.00000
   49    43    44    35.00000  120.00000
   49    50    51    35.00000  109.50000
   49    50    53    70.00000  112.02700
   49    50    59    75.00000  110.70900
   49    52    75    70.00000  112.99600
   49    52    56    70.00000  112.02700
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    60    70.00000  112.17500
   50    59    61    51.80000  107.20000
   50    59    64    51.80000  107.20000
   53    50    51    37.50000  110.70000
   53    60    68    70.00000  120.00000
   53    60    75    70.00000  120.00000
   55    53    54    33.00000  107.80000
   60    53    54    35.00000  109.50000
   60    53    55    35.00000  109.50000
   60    68    69    35.00000  120.00000
   60    68    70    63.00000  120.00000
   60    75    72    63.00000  120.00000
   60    75    52    70.00000  120.00000
   68    70    71    63.00000  120.00000
   68    70    79    70.00000  120.00000
   70    68    69    35.00000  120.00000
   70    71    72    63.00000  120.00000
   70    71    74    70.00000  120.00000
   70    79    76   100.00000  112.36700
   71    72    73    35.00000  120.00000
   71    72    75    63.00000  120.00000
   71    74    76   100.00000  112.36700
   72    75    52    70.00000  120.00000
   75    60    68    63.00000  120.00000
   75    72    73    35.00000  120.00000
   75    52    56    70.00000  112.17500
   52    33    34    37.50000  110.70000
   52    33    38    58.35000  112.70000
   52    49    50    65.00000  117.92700
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    61    58.35000  112.70000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    59    56.20000  109.47000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    59    64    51.80000  107.20000
   63    61    62    33.00000  107.80000
   59    50    51    35.00000  109.50000
   59    50    53    56.20000  109.47000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   74    71    72    70.00000  120.00000
   74    76    77    35.00000  109.50000
   74    76    78    35.00000  109.50000
   74    76    79    92.60000  111.55000
   78    76    77    33.00000  109.50000
   79    70    71    70.00000  120.00000
   79    76    77    35.00000  109.50000
   79    76    78    35.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  108.74100
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  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
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    52    49   0.56750  1.0 1.0
   29    33    52    49  -0.07550 -1.0 2.0
   29    33    52    49   0.20000  1.0 3.0
   29    33    52    75   0.56750  1.0 1.0
   29    33    52    75  -0.07550 -1.0 2.0
   29    33    52    75   0.20000  1.0 3.0
   29    33    52    56   0.44750  1.0 1.0
   29    33    52    56  -0.17800 -1.0 2.0
   29    33    52    56   0.20200  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    43   0.65300  1.0 1.0
   33    38    40    43  -0.03850 -1.0 2.0
   33    38    40    43   0.33900  1.0 3.0
   33    38    42    45   0.06250  1.0 1.0
   33    38    42    45  -0.01100 -1.0 2.0
   33    38    42    45   0.28050  1.0 3.0
   33    52    56    57   0.15000  1.0 3.0
   33    52    56    58   0.15000  1.0 3.0
   33    52    56    61   0.56750  1.0 1.0
   33    52    56    61  -0.07550 -1.0 2.0
   33    52    56    61   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    52    49   0.15000  1.0 3.0
   34    33    52    75   0.43200  1.0 3.0
   34    33    52    56   0.15000  1.0 3.0
   38    33    52    49   0.34400  1.0 1.0
   38    33    52    49   0.09450 -1.0 2.0
   38    33    52    49   0.11100  1.0 3.0
   38    33    52    75  -0.03700  1.0 1.0
   38    33    52    75   0.37200 -1.0 2.0
   38    33    52    75  -0.47300  1.0 3.0
   38    33    52    56   0.56750  1.0 1.0
   38    33    52    56  -0.07550 -1.0 2.0
   38    33    52    56   0.20000  1.0 3.0
   38    40    43    44   0.04550  1.0 1.0
   38    40    43    44   0.83000 -1.0 2.0
   38    40    43    44  -0.04000  1.0 3.0
   38    40   -43    49  -0.33500  1.0 1.0
   38    40   -43    49   1.06600 -1.0 2.0
   38    40   -43    49  -0.14000  1.0 3.0
   38    42    45    46   0.37050  1.0 3.0
   38    42    45    47   0.37050  1.0 3.0
   38    42    45    48   0.37050  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    43   0.00000  1.0 1.0
   39    38    42    45   0.37050  1.0 3.0
   40    38    42    45  -1.11000  1.0 1.0
   40    38    42    45   0.50250 -1.0 2.0
   40    38    42    45   0.47450  1.0 3.0
   40    43    49    50   7.00000 -1.0 2.0
   40    43    49    52   7.00000 -1.0 2.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    49   1.00000 -1.0 2.0
   43    49    50    51   0.00000  1.0 1.0
   43    49    50    53   0.09850  1.0 1.0
   43    49    50    53   0.15250 -1.0 2.0
   43    49    50    53  -0.50650  1.0 3.0
   43    49    50    59   0.90200  1.0 1.0
   43    49    50    59   0.57900 -1.0 2.0
   43    49    50    59  -0.62100  1.0 3.0
   43    49   -52    33   0.09850  1.0 1.0
   43    49   -52    33   0.15250 -1.0 2.0
   43    49   -52    33  -0.50650  1.0 3.0
   43    49    52    75   1.44450  1.0 1.0
   43    49    52    75   0.06600 -1.0 2.0
   43    49    52    75   0.29250  1.0 3.0
   43    49    52    56   0.09850  1.0 1.0
   43    49    52    56   0.15250 -1.0 2.0
   43    49    52    56  -0.50650  1.0 3.0
   44    43    49    50   7.00000 -1.0 2.0
   44    43    49    52   7.00000 -1.0 2.0
   49    50    53    54   0.15000  1.0 3.0
   49    50    53    55   0.15000  1.0 3.0
   49    50    53    60   0.21200  1.0 1.0
   49    50    53    60   0.16900 -1.0 2.0
   49    50    53    60  -1.15100  1.0 3.0
   49    50    59    61  -0.60800  1.0 1.0
   49    50    59    61   1.10050 -1.0 2.0
   49    50    59    61   0.47000  1.0 3.0
   49    50    59    64  -0.60800  1.0 1.0
   49    50    59    64   1.10050 -1.0 2.0
   49    50    59    64   0.47000  1.0 3.0
   49    52    56    57   0.15000  1.0 3.0
   49    52    56    58   0.15000  1.0 3.0
   49    52   -56    61   0.34400  1.0 1.0
   49    52   -56    61   0.09450 -1.0 2.0
   49    52   -56    61   0.11100  1.0 3.0
   50    49    52    33   0.46850  1.0 1.0
   50    49    52    33   0.08550 -1.0 2.0
   50    49    52    33   0.09800  1.0 3.0
   50    49    52    75   0.09700  1.0 1.0
   50    49    52    75   0.15600 -1.0 2.0
   50    49    52    75  -0.50800  1.0 3.0
   50    49    52    56   0.46850  1.0 1.0
   50    49    52    56   0.08550 -1.0 2.0
   50    49    52    56   0.09800  1.0 3.0
   50    53    60    68   0.04150 -1.0 2.0
   50    53   -60    75   0.04150 -1.0 2.0
   50    59    64    65   0.28000  1.0 3.0
   50    59    64    66   0.28000  1.0 3.0
   50    59    64    67   0.28000  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    60   0.43200  1.0 3.0
   51    50    59    61   0.28000  1.0 3.0
   51    50    59    64   0.28000  1.0 3.0
   53    50    59    61   0.23450  1.0 1.0
   53    50    59    61   0.02050 -1.0 2.0
   53    50    59    61   0.25250  1.0 3.0
   53    50    59    64   0.58650  1.0 1.0
   53    50    59    64   0.12600 -1.0 2.0
   53    50    59    64   0.33350  1.0 3.0
   53    60    68    69   3.62500 -1.0 2.0
   53    60    68    70   3.62500 -1.0 2.0
   53    60    75    72   3.62500 -1.0 2.0
   53    60    75    52   3.62500 -1.0 2.0
   54    53    60    68   0.00000  1.0 1.0
   54    53    60    75   0.00000  1.0 1.0
   55    53    60    68   0.00000  1.0 1.0
   55    53    60    75   0.00000  1.0 1.0
   60    68    70    71   3.62500 -1.0 2.0
   60    68    70    79   3.62500 -1.0 2.0
   60    75    52    33   0.04150 -1.0 2.0
   60    75   -52    49   0.18050 -1.0 2.0
   60    75    52    56   0.04150 -1.0 2.0
   68    60    75    72   3.62500 -1.0 2.0
   68    60    75    52   3.62500 -1.0 2.0
   68    70   -71    72   3.62500 -1.0 2.0
   68    70    71    74   3.62500 -1.0 2.0
   68    70    79    76   1.63200 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    79   3.62500 -1.0 2.0
   70    71    72    73   3.62500 -1.0 2.0
   70    71    72    75   3.62500 -1.0 2.0
   70    71   -74    76   1.63200 -1.0 2.0
   71    70   -79    76   1.63200 -1.0 2.0
   71    72   -75    60   3.62500 -1.0 2.0
   71    72    75    52   3.62500 -1.0 2.0
   71    74    76    77   0.08050  1.0 3.0
   71    74    76    78   0.08050  1.0 3.0
   71    74   -76    79  -0.25600  1.0 1.0
   71    74   -76    79  -0.40050 -1.0 2.0
   71    74   -76    79   0.34700  1.0 3.0
   72    71    74    76   1.63200 -1.0 2.0
   72    75    52    33   0.04150 -1.0 2.0
   72    75    52    49   0.18050 -1.0 2.0
   72    75    52    56   0.04150 -1.0 2.0
   73    72    75    60   3.62500 -1.0 2.0
   73    72    75    52   3.62500 -1.0 2.0
   75    60    68    69   3.62500 -1.0 2.0
   75    60   -68    70   3.62500 -1.0 2.0
   75    52    56    57   0.43200  1.0 3.0
   75    52    56    58   0.43200  1.0 3.0
   75    52    56    61  -0.03700  1.0 1.0
   75    52    56    61   0.37200 -1.0 2.0
   75    52    56    61  -0.47300  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33   -38    40  -0.95700  1.0 1.0
   52    33   -38    40  -0.18200 -1.0 2.0
   52    33   -38    40   0.29450  1.0 3.0
   52    33    38    42   0.62750  1.0 1.0
   52    33    38    42  -0.30950 -1.0 2.0
   52    33    38    42   0.27300  1.0 3.0
   52    49    50    51   0.34800  1.0 3.0
   52    49   -50    53   0.46850  1.0 1.0
   52    49   -50    53   0.08550 -1.0 2.0
   52    49   -50    53   0.09800  1.0 3.0
   52    49    50    59   0.52100  1.0 1.0
   52    49    50    59  -0.20350 -1.0 2.0
   52    49    50    59   0.29750  1.0 3.0
   52    56    61    62   0.15000  1.0 3.0
   52    56    61    63   0.15000  1.0 3.0
   52    56   -61    59   1.53400  1.0 1.0
   52    56   -61    59  -0.09950 -1.0 2.0
   52    56   -61    59   0.05700  1.0 3.0
   56    61   -59    50   0.23450  1.0 1.0
   56    61   -59    50   0.02050 -1.0 2.0
   56    61   -59    50   0.25250  1.0 3.0
   56    61    59    64   0.58650  1.0 1.0
   56    61    59    64   0.12600 -1.0 2.0
   56    61    59    64   0.33350  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    59   0.15000  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    63   0.15000  1.0 3.0
   58    56    61    59   0.15000  1.0 3.0
   61    59    64    65   0.28000  1.0 3.0
   61    59    64    66   0.28000  1.0 3.0
   61    59    64    67   0.28000  1.0 3.0
   62    61    59    50   0.28000  1.0 3.0
   62    61    59    64   0.28000  1.0 3.0
   63    61    59    50   0.28000  1.0 3.0
   63    61    59    64   0.28000  1.0 3.0
   59    50    53    54   0.15000  1.0 3.0
   59    50    53    55   0.15000  1.0 3.0
   59    50    53    60   0.83750  1.0 1.0
   59    50    53    60   0.32200 -1.0 2.0
   59    50    53    60   0.70600  1.0 3.0
   74    71    72    73   3.62500 -1.0 2.0
   74    71    72    75   3.62500 -1.0 2.0
   74    76   -79    70  -0.25600  1.0 1.0
   74    76   -79    70  -0.40050 -1.0 2.0
   74    76   -79    70   0.34700  1.0 3.0
   77    76    79    70   0.08050  1.0 3.0
   78    76    79    70   0.08050  1.0 3.0
   79    70    71    72   3.62500 -1.0 2.0
   79    70   -71    74   3.62500 -1.0 2.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    43   0.65300  1.0 1.0
   42    38    40    43  -0.03850 -1.0 2.0
   42    38    40    43   0.33900  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    43    40    41  10.50000 -1.0 2.0
   40    44    43    49   1.10000 -1.0 2.0
   50    52    49    43   1.10000 -1.0 2.0
   68    75    60    53   4.00000 -1.0 2.0
   70    69    68    60   1.10000 -1.0 2.0
   71    79    70    68   4.00000 -1.0 2.0
   72    74    71    70   4.00000 -1.0 2.0
   75    73    72    71   1.10000 -1.0 2.0
   72    52    75    60   4.00000 -1.0 2.0
END
