* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    156    246     465
    1     0 S   NP   _N1_     1    28.92956    95.19175   -25.69634
    2     1 S   H    _HN1     2     1.02950    76.06249    16.09832
    3     1 S   H    _H1_     3     1.02828    31.05361  -166.70159
    4     1 S   H    _H2_     4     1.02785   117.37144   -87.61162
    5     1 S   CT   _CA1     5     1.50112   124.60361   121.47439
    6     5 S   HC   _HA1     6     1.09573   105.19871    90.84294
    7     5 S   CO3  _C1_     7     1.53788   112.44747   -29.39650
    8     7 S   O2Z  _O11     8     1.26372   115.00572   -42.83583
    9     7 S   O2Z  _O12     9     1.26238   114.94107   136.28643
   10     5 S   CT   _CB1    10     1.53078   107.42076  -151.17780
   11    10 S   HC   HB11    11     1.09832   109.37558   -49.75197
   12    10 S   HC   HB12    12     1.09813   110.44622    66.85492
   13    10 S   CT   _CG1    13     1.52990   112.60582  -170.73270
   14    13 S   HC   HG11    14     1.09584   110.62100   -65.45697
   15    13 S   HC   HG12    15     1.09669   109.80078    53.77801
   16    13 S   C    _CD1    16     1.51799   112.22658   174.22878
   17    16 S   O    _OE1    17     1.22732   123.28893     6.44838
   18    16 S   N    _N2_    18     1.38654   111.66959  -173.67374
   19    18 S   H    _HN2    19     1.01583   118.94069     1.72408
   20    18 S   CT1  _CA2    20     1.46190   123.37053   177.67443
   21    20 S   HC   _HA2    21     1.09737   109.36704     1.76059
   22    20 S   C    _C2_    22     1.53527   108.62652  -113.73412
   23    22 S   O    _O2_    23     1.23057   122.26876  -148.03000
   24    20 S   CT   _CB2    32     1.53318   111.57430   123.76266
   25    24 S   HC   HB21    33     1.09505   110.03299    56.73032
   26    24 S   HC   HB22    34     1.09522   110.15182   175.69930
   27    22 S   N    _N3_    24     1.38326   113.69362    39.41711
   28    27 S   H    _HN3    25     1.01590   119.57856    -3.36499
   29    24 S   S    _SG2    35     1.82770   111.47256   -64.70066
   30    27 S   CT   _CA3    26     1.45287   123.20919   177.10335
   31    30 S   HC   HA31    27     1.09549   107.51296   -64.47723
   32    30 S   HC   HA32    28     1.09556   107.98054    51.95852
   33    29 S   CT   _C15    36     1.83790    99.54589   179.78602
   34    33 S   HC   _H9_    37     1.09575   106.93049    41.83355
   35    30 S   CO3  _C3_    29     1.52958   114.08345   173.95396
   36    35 S   O2Z  _O31    30     1.26375   116.06731    -0.66910
   37    35 S   O2Z  _O32    31     1.26428   114.41269   179.38994
   38    33 S   CT   _C16    38     1.52692   110.66731   -78.03314
   39    38 S   HC   _H18    39     1.09530   110.72245   154.45653
   40    38 S   HC   _H19    40     1.09222   114.83241    29.83718
   41    38 S   CO4  _C17    41     1.50510   102.67552   -90.77189
   42    41 S   O    _O35    42     1.22627   122.60785   161.87721
   43    41 S   CT   _C13    43     1.53336   113.08594   -19.50142
   44    33 S   CT   _C14    44     1.55763   116.55949   164.48660
   45    44 S   HC   _H8_    45     1.10151   103.61106  -164.47150
   46    43 S   CT   _C12    64     1.56188   107.84434  -122.36537
   47    46 S   HC   _H7_    65     1.09828   108.42420    27.99313
   48    43 S   CT   _C18    77     1.54256   106.29858   116.31793
   49    48 S   HC   _H20    78     1.09141   112.52778   178.51325
   50    48 S   HC   _H21    79     1.09666   111.49657    57.80894
   51    48 S   HC   _H22    80     1.09096   112.79084   -60.10720
   52    44 S   CT   _C5_    46     1.55075   117.30616   -47.74450
   53    52 S   HC   _H3_    47     1.09596   109.60889    74.34586
   54    46 S   OS   _O36    66     1.45102   108.51139   -90.29806
   55    52 S   CT   _C6_    48     1.54526   113.80078  -164.91736
   56    55 S   HC   _H13    49     1.10033   108.98870    77.17725
   57    55 S   HC   _H14    50     1.09968   108.20324  -170.39049
   58    54 S   CO4  _C19    67     1.36292   118.87396   115.91846
   59    58 S   O    _O37    68     1.22274   126.75797     2.16410
   60    52 S   CT   _C4_    73     1.54157   112.02571   -44.39838
   61    60 S   HC   _H10    74     1.09564   111.04245   -55.50066
   62    60 S   HC   _H11    75     1.09599   110.73626  -175.28158
   63    60 S   HC   _H12    76     1.09159   112.55734    65.61771
   64    55 S   CT   _C7_    51     1.52807   119.06457   -47.01621
   65    64 S   HC   _H4_    52     1.09283   111.73964   -62.85619
   66    58 S   CT   _C20    69     1.49843   109.27975  -178.31275
   67    66 S   HC   _H23    70     1.09287   109.79987   -62.16768
   68    66 S   HC   _H24    71     1.09375   109.37333   178.69569
   69    66 S   HC   _H25    72     1.09298   109.82144    59.73023
   70    64 S   CT   _C8_    53     1.52050   113.59730    66.99495
   71    70 S   HC   _H5_    54     1.09996   107.90879    32.45146
   72    70 S   CT   _C9_    55     1.53145   102.48553   145.82299
   73    72 S   HC   _H6_    56     1.09512   112.50602    82.32684
   74    72 S   CO4  _C10    57     1.50332   102.01312   -31.14654
   75    74 S   O    _O33    58     1.22089   126.18654  -160.38435
   76    72 S   CT   _C11    60     1.51945   112.98817  -151.88536
   77    76 S   HC   _H15    61     1.09565   111.48943    59.68160
   78    76 S   HC   _H16    62     1.09390   111.19636   -61.26853
   79    76 S   HC   _H17    63     1.09539   110.59441   178.80597
   80    64 S   OS   _O34    59     1.44556   106.21938  -178.73483
  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
  15   8   2   1   1  10   5   4  13   4  18  19   6  20   7   6
   2   1   1  12   8  10  13   6   5   6   4   4   2   1   1   9
   5   3   2   1   1  10   5   8   7   6   2   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    44    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    44    45    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    52    53    55    46    60    48  
   38    39    40    41    43    44    45    52  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    52    46    48  
   40    41    42    43    44  
   41    42    43    44  
   42    43    44    45    52    70    46    47    54    48    49    50    51  
   43    44    46    48  
   44    45    52    53    55    64    70    71    72    46    47    54    58    60    48    49    50    51  
   45    52    53    55    56    57    64    70    46    47    54    60    61    62    63    48    49    50    51  
   52    53    55    46    60    48  
   47    54    58    59    66    48    49    50    51    52    55    64    65    70    71    72    73    74    76    80  
   54    58    48    64    70    71    72  
   49    50    51    52    54    70  
   50    51  
   51  
    0  
   53    55    56    57    64    65    70    80    60    61    62    63  
   55    56    57    64    60    61    62    63  
   58    59    66    67    68    69    64    70    71    72  
   56    57    64    65    70    71    72    74    80    60    61    62    63  
   57    64    65    70    80    60  
   64    65    70    80    60  
   59    66    67    68    69    70  
   66    67    68    69  
   61    62    63    64  
   62    63  
   63  
    0  
   65    70    71    72    73    74    75    80    76  
   70    71    72    74    80  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75    80    76    77    78    79  
   72    73    74    80    76  
   73    74    75    80    76    77    78    79  
   74    75    80    76    77    78    79  
   75    80    76    77    78    79  
   80    76  
   77    78    79    80  
   78    79  
   79  
    0  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.0000   0.1700  -0.330000   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    44   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   268.000  1.529
   43    46   268.000  1.529
   43    48   268.000  1.529
   44    45   340.000  1.090
   44    52   268.000  1.529
   52    53   340.000  1.090
   52    55   268.000  1.529
   52    60   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    64   268.000  1.529
   64    65   340.000  1.090
   64    70   268.000  1.529
   64    80   320.000  1.410
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    46   268.000  1.529
   72    73   340.000  1.090
   72    74   317.000  1.522
   72    76   268.000  1.529
   74    75   570.000  1.229
   74    80   214.000  1.327
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   46    47   340.000  1.090
   46    54   320.000  1.410
   54    58   214.000  1.327
   58    59   570.000  1.229
   58    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    44    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    44    43    58.35000  112.70000
   33    44    45    37.50000  110.70000
   33    44    52    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    63.00000  111.10000
   41    43    46    63.00000  111.10000
   41    43    48    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    52    58.35000  112.70000
   43    46    70    58.35000  112.70000
   43    46    47    37.50000  110.70000
   43    46    54    50.00000  109.50000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    51    37.50000  110.70000
   44    33    34    37.50000  110.70000
   44    33    38    58.35000  112.70000
   44    52    53    37.50000  110.70000
   44    52    55    58.35000  112.70000
   44    52    60    58.35000  112.70000
   52    44    45    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    64    58.35000  112.70000
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    63    37.50000  110.70000
   55    52    53    37.50000  110.70000
   55    64    65    37.50000  110.70000
   55    64    70    58.35000  112.70000
   55    64    80    50.00000  109.50000
   57    55    56    33.00000  107.80000
   64    55    56    37.50000  110.70000
   64    55    57    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    72    58.35000  112.70000
   64    70    46    58.35000  112.70000
   64    80    74    83.00000  116.90000
   70    64    65    37.50000  110.70000
   70    72    73    37.50000  110.70000
   70    72    74    63.00000  111.10000
   70    72    76    58.35000  112.70000
   70    46    47    37.50000  110.70000
   70    46    54    50.00000  109.50000
   72    70    71    37.50000  110.70000
   72    74    75    80.00000  120.40000
   72    74    80    81.00000  111.40000
   72    76    77    37.50000  110.70000
   72    76    78    37.50000  110.70000
   72    76    79    37.50000  110.70000
   74    72    73    35.00000  109.50000
   80    64    65    35.00000  109.50000
   80    64    70    50.00000  109.50000
   80    74    75    83.00000  123.40000
   76    72    73    37.50000  110.70000
   76    72    74    63.00000  111.10000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   46    43    44    58.35000  112.70000
   46    70    71    37.50000  110.70000
   46    70    72    58.35000  112.70000
   46    54    58    83.00000  116.90000
   54    46    47    35.00000  109.50000
   54    58    59    83.00000  123.40000
   54    58    66    81.00000  111.40000
   58    66    67    35.00000  109.50000
   58    66    68    35.00000  109.50000
   58    66    69    35.00000  109.50000
   66    58    59    80.00000  120.40000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   60    52    53    37.50000  110.70000
   60    52    55    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   48    43    44    58.35000  112.70000
   48    43    46    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  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    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   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   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    44    43   0.44750  1.0 1.0
   29    33    44    43  -0.17800 -1.0 2.0
   29    33    44    43   0.20200  1.0 3.0
   29    33    44    45   0.15000  1.0 3.0
   29    33    44    52   0.44750  1.0 1.0
   29    33    44    52  -0.17800 -1.0 2.0
   29    33    44    52   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38   -41    43   0.60050  1.0 1.0
   33    38   -41    43   0.05600 -1.0 2.0
   33    38   -41    43   0.26150  1.0 3.0
   33    44    52    53   0.15000  1.0 3.0
   33    44    52    55   0.56750  1.0 1.0
   33    44    52    55  -0.07550 -1.0 2.0
   33    44    52    55   0.20000  1.0 3.0
   33    44    52    60   0.56750  1.0 1.0
   33    44    52    60  -0.07550 -1.0 2.0
   33    44    52    60   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    44    43   0.15000  1.0 3.0
   34    33    44    45   0.15000  1.0 3.0
   34    33    44    52   0.15000  1.0 3.0
   38    33   -44    43   0.56750  1.0 1.0
   38    33   -44    43  -0.07550 -1.0 2.0
   38    33   -44    43   0.20000  1.0 3.0
   38    33    44    45   0.15000  1.0 3.0
   38    33    44    52   0.56750  1.0 1.0
   38    33    44    52  -0.07550 -1.0 2.0
   38    33    44    52   0.20000  1.0 3.0
   38    41   -43    44   0.60050  1.0 1.0
   38    41   -43    44   0.05600 -1.0 2.0
   38    41   -43    44   0.26150  1.0 3.0
   38    41    43    46   0.60050  1.0 1.0
   38    41    43    46   0.05600 -1.0 2.0
   38    41    43    46   0.26150  1.0 3.0
   38    41    43    48   0.60050  1.0 1.0
   38    41    43    48   0.05600 -1.0 2.0
   38    41    43    48   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43   -44    33  -0.95700  1.0 1.0
   41    43   -44    33  -0.18200 -1.0 2.0
   41    43   -44    33   0.29450  1.0 3.0
   41    43    44    45  -0.11250  1.0 3.0
   41    43    44    52  -0.95700  1.0 1.0
   41    43    44    52  -0.18200 -1.0 2.0
   41    43    44    52   0.29450  1.0 3.0
   41    43    46    70  -0.95700  1.0 1.0
   41    43    46    70  -0.18200 -1.0 2.0
   41    43    46    70   0.29450  1.0 3.0
   41    43    46    47  -0.11250  1.0 3.0
   41    43    46    54  -0.09450  1.0 1.0
   41    43    46    54  -1.12950 -1.0 2.0
   41    43    46    54   0.54000  1.0 3.0
   41    43    48    49  -0.11250  1.0 3.0
   41    43    48    50  -0.11250  1.0 3.0
   41    43    48    51  -0.11250  1.0 3.0
   42    41    43    44   0.30150 -1.0 2.0
   42    41    43    46   0.30150 -1.0 2.0
   42    41    43    48   0.30150 -1.0 2.0
   43    44    52    53   0.15000  1.0 3.0
   43    44    52    55   0.56750  1.0 1.0
   43    44    52    55  -0.07550 -1.0 2.0
   43    44    52    55   0.20000  1.0 3.0
   43    44    52    60   0.56750  1.0 1.0
   43    44    52    60  -0.07550 -1.0 2.0
   43    44    52    60   0.20000  1.0 3.0
   43    46    54    58  -0.25900  1.0 1.0
   43    46    54    58  -0.47000 -1.0 2.0
   43    46    54    58   0.11750  1.0 3.0
   44    33    38    39   0.15000  1.0 3.0
   44    33    38    40   0.15000  1.0 3.0
   44    33   -38    41  -0.95700  1.0 1.0
   44    33   -38    41  -0.18200 -1.0 2.0
   44    33   -38    41   0.29450  1.0 3.0
   44    43    46    70   0.56750  1.0 1.0
   44    43    46    70  -0.07550 -1.0 2.0
   44    43    46    70   0.20000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    54   0.62750  1.0 1.0
   44    43    46    54  -0.30950 -1.0 2.0
   44    43    46    54   0.27300  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    51   0.15000  1.0 3.0
   44    52    55    56   0.15000  1.0 3.0
   44    52    55    57   0.15000  1.0 3.0
   44    52    55    64   0.56750  1.0 1.0
   44    52    55    64  -0.07550 -1.0 2.0
   44    52    55    64   0.20000  1.0 3.0
   44    52    60    61   0.15000  1.0 3.0
   44    52    60    62   0.15000  1.0 3.0
   44    52    60    63   0.15000  1.0 3.0
   45    44    52    53   0.15000  1.0 3.0
   45    44    52    55   0.15000  1.0 3.0
   45    44    52    60   0.15000  1.0 3.0
   52    55    64    65   0.15000  1.0 3.0
   52    55    64    70   0.56750  1.0 1.0
   52    55    64    70  -0.07550 -1.0 2.0
   52    55    64    70   0.20000  1.0 3.0
   52    55    64    80   0.62750  1.0 1.0
   52    55    64    80  -0.30950 -1.0 2.0
   52    55    64    80   0.27300  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    64   0.15000  1.0 3.0
   53    52    60    61   0.15000  1.0 3.0
   53    52    60    62   0.15000  1.0 3.0
   53    52    60    63   0.15000  1.0 3.0
   55    52    60    61   0.15000  1.0 3.0
   55    52    60    62   0.15000  1.0 3.0
   55    52    60    63   0.15000  1.0 3.0
   55    64    70    71   0.15000  1.0 3.0
   55    64    70    72   0.56750  1.0 1.0
   55    64    70    72  -0.07550 -1.0 2.0
   55    64    70    72   0.20000  1.0 3.0
   55    64    70    46   0.56750  1.0 1.0
   55    64    70    46  -0.07550 -1.0 2.0
   55    64    70    46   0.20000  1.0 3.0
   55    64    80    74  -0.25900  1.0 1.0
   55    64    80    74  -0.47000 -1.0 2.0
   55    64    80    74   0.11750  1.0 3.0
   56    55    64    65   0.15000  1.0 3.0
   56    55    64    70   0.15000  1.0 3.0
   56    55    64    80   0.23400  1.0 3.0
   57    55    64    65   0.15000  1.0 3.0
   57    55    64    70   0.15000  1.0 3.0
   57    55    64    80   0.23400  1.0 3.0
   64    70    72    73   0.15000  1.0 3.0
   64    70   -72    74  -0.95700  1.0 1.0
   64    70   -72    74  -0.18200 -1.0 2.0
   64    70   -72    74   0.29450  1.0 3.0
   64    70    72    76   0.56750  1.0 1.0
   64    70    72    76  -0.07550 -1.0 2.0
   64    70    72    76   0.20000  1.0 3.0
   64    70    46    43   0.56750  1.0 1.0
   64    70    46    43  -0.07550 -1.0 2.0
   64    70    46    43   0.20000  1.0 3.0
   64    70    46    47   0.15000  1.0 3.0
   64    70    46    54   0.62750  1.0 1.0
   64    70    46    54  -0.30950 -1.0 2.0
   64    70    46    54   0.27300  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   65    64    70    46   0.15000  1.0 3.0
   65    64    80    74   0.08050  1.0 3.0
   70    64   -80    74  -0.25900  1.0 1.0
   70    64   -80    74  -0.47000 -1.0 2.0
   70    64   -80    74   0.11750  1.0 3.0
   70    72    74    75   0.30150 -1.0 2.0
   70    72   -74    80   0.36750  1.0 3.0
   70    72    76    77   0.15000  1.0 3.0
   70    72    76    78   0.15000  1.0 3.0
   70    72    76    79   0.15000  1.0 3.0
   70    46    54    58  -0.25900  1.0 1.0
   70    46    54    58  -0.47000 -1.0 2.0
   70    46    54    58   0.11750  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    74  -0.11250  1.0 3.0
   71    70    72    76   0.15000  1.0 3.0
   71    70    46    43   0.15000  1.0 3.0
   71    70    46    47   0.15000  1.0 3.0
   71    70    46    54   0.23400  1.0 3.0
   72    70    46    43   0.56750  1.0 1.0
   72    70    46    43  -0.07550 -1.0 2.0
   72    70    46    43   0.20000  1.0 3.0
   72    70    46    47   0.15000  1.0 3.0
   72    70    46    54   0.62750  1.0 1.0
   72    70    46    54  -0.30950 -1.0 2.0
   72    70    46    54   0.27300  1.0 3.0
   72    74   -80    64   1.63150  1.0 1.0
   72    74   -80    64   2.92000 -1.0 2.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    80   0.00000  1.0 1.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    78   0.15000  1.0 3.0
   73    72    76    79   0.15000  1.0 3.0
   74    72    76    77  -0.11250  1.0 3.0
   74    72    76    78  -0.11250  1.0 3.0
   74    72    76    79  -0.11250  1.0 3.0
   75    74    80    64   3.00000 -1.0 2.0
   80    64    70    71   0.23400  1.0 3.0
   80    64   -70    72   0.62750  1.0 1.0
   80    64   -70    72  -0.30950 -1.0 2.0
   80    64   -70    72   0.27300  1.0 3.0
   80    64    70    46   0.62750  1.0 1.0
   80    64    70    46  -0.30950 -1.0 2.0
   80    64    70    46   0.27300  1.0 3.0
   76    72    74    75   0.30150 -1.0 2.0
   76    72    74    80   0.36750  1.0 3.0
   46    43    44    33   0.56750  1.0 1.0
   46    43    44    33  -0.07550 -1.0 2.0
   46    43    44    33   0.20000  1.0 3.0
   46    43    44    45   0.15000  1.0 3.0
   46    43    44    52   0.56750  1.0 1.0
   46    43    44    52  -0.07550 -1.0 2.0
   46    43    44    52   0.20000  1.0 3.0
   46    43    48    49   0.15000  1.0 3.0
   46    43    48    50   0.15000  1.0 3.0
   46    43    48    51   0.15000  1.0 3.0
   46    70    72    73   0.15000  1.0 3.0
   46    70    72    74  -0.95700  1.0 1.0
   46    70    72    74  -0.18200 -1.0 2.0
   46    70    72    74   0.29450  1.0 3.0
   46    70    72    76   0.56750  1.0 1.0
   46    70    72    76  -0.07550 -1.0 2.0
   46    70    72    76   0.20000  1.0 3.0
   46    54    58    59   3.00000 -1.0 2.0
   46    54    58    66   1.63150  1.0 1.0
   46    54    58    66   2.92000 -1.0 2.0
   47    46    54    58   0.08050  1.0 3.0
   54    58    66    67   0.00000  1.0 1.0
   54    58    66    68   0.00000  1.0 1.0
   54    58    66    69   0.00000  1.0 1.0
   59    58    66    67   0.00000  1.0 1.0
   59    58    66    68   0.00000  1.0 1.0
   59    58    66    69   0.00000  1.0 1.0
   60    52    55    56   0.15000  1.0 3.0
   60    52    55    57   0.15000  1.0 3.0
   60    52    55    64   0.56750  1.0 1.0
   60    52    55    64  -0.07550 -1.0 2.0
   60    52    55    64   0.20000  1.0 3.0
   48    43    44    33   0.56750  1.0 1.0
   48    43    44    33  -0.07550 -1.0 2.0
   48    43    44    33   0.20000  1.0 3.0
   48    43    44    45   0.15000  1.0 3.0
   48    43    44    52   0.56750  1.0 1.0
   48    43    44    52  -0.07550 -1.0 2.0
   48    43    44    52   0.20000  1.0 3.0
   48    43    46    70   0.56750  1.0 1.0
   48    43    46    70  -0.07550 -1.0 2.0
   48    43    46    70   0.20000  1.0 3.0
   48    43    46    47   0.15000  1.0 3.0
   48    43    46    54   0.62750  1.0 1.0
   48    43    46    54  -0.30950 -1.0 2.0
   48    43    46    54   0.27300  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    41    42  10.50000 -1.0 2.0
   72    80    74    75  10.50000 -1.0 2.0
   54    66    58    59  10.50000 -1.0 2.0
END
