* LIGAND DATABASE FILE (OPLS2005)
*
001      98   102    197    323     593
    1     0 S   NP   _N1_     1    28.72096    96.59447   -21.45697
    2     1 S   H    _HN1     2     1.02952    77.05732    25.62692
    3     1 S   H    _H1_     3     1.02829    43.30139   158.71331
    4     1 S   H    _H2_     4     1.02781    88.98858   -83.46811
    5     1 S   CT   _CA1     5     1.50108   152.40645   135.04946
    6     5 S   HC   _HA1     6     1.09572   105.22480    76.30642
    7     5 S   CO3  _C1_     7     1.53812   112.42340   -43.95782
    8     7 S   O2Z  _O11     8     1.26371   115.00557   -43.10934
    9     7 S   O2Z  _O12     9     1.26240   114.95270   136.06453
   10     5 S   CT   _CB1    10     1.53091   107.43165  -165.70138
   11    10 S   HC   HB11    11     1.09826   109.43751   -49.85922
   12    10 S   HC   HB12    12     1.09815   110.41337    66.76590
   13    10 S   CT   _CG1    13     1.52963   112.56965  -170.87297
   14    13 S   HC   HG11    14     1.09603   110.52502   -63.67414
   15    13 S   HC   HG12    15     1.09662   109.90606    55.54301
   16    13 S   C    _CD1    16     1.51787   112.35628   176.01248
   17    16 S   O    _OE1    17     1.22710   123.35599     1.49384
   18    16 S   N    _N2_    18     1.38598   111.50650  -178.65681
   19    18 S   H    _HN2    19     1.01584   118.91051     2.14119
   20    18 S   CT1  _CA2    20     1.46208   123.53438   179.96044
   21    20 S   HC   _HA2    21     1.09733   109.46681    -4.49710
   22    20 S   C    _C2_    22     1.53459   108.32076  -120.03692
   23    22 S   O    _O2_    23     1.23039   122.38862  -147.24432
   24    20 S   CT   _CB2    32     1.53582   111.36301   117.64102
   25    24 S   HC   HB21    33     1.09028   109.14351    55.92620
   26    24 S   HC   HB22    34     1.09294   109.59587   173.96051
   27    22 S   N    _N3_    24     1.38365   113.51989    40.17231
   28    27 S   H    _HN3    25     1.01626   119.50716    -3.53180
   29    24 S   S    _SG2    35     1.83126   110.84307   -65.86046
   30    27 S   CT   _CA3    26     1.45283   123.14590   177.03087
   31    30 S   HC   HA31    27     1.09552   107.51450   -64.09155
   32    30 S   HC   HA32    28     1.09558   107.96037    52.31869
   33    29 S   CT   _C14    36     1.92431   103.14109   166.46444
   34    30 S   CO3  _C3_    29     1.52939   114.13508   174.30020
   35    34 S   O2Z  _O31    30     1.26368   116.06862    -1.08876
   36    34 S   O2Z  _O32    31     1.26432   114.40831   178.97856
   37    33 S   CT   _C13    37     1.61819   102.15311   170.05383
   38    37 S   HC   _H3_    38     1.09759   109.19729   -33.85460
   39    33 S   CT   _C15    73     1.59051   107.86931    54.09863
   40    39 S   HC   _H4_    74     1.09103   109.91314   -87.56308
   41    37 S   CT   _C12    39     1.54355   111.61970    83.47229
   42    41 S   HC   _H17    40     1.09533   109.61686   -61.51365
   43    41 S   HC   _H18    41     1.09676   110.67331  -175.81404
   44    37 S   CT   _C18    61     1.54863   113.51163  -152.22499
   45    44 S   HC   _H5_    62     1.09432   107.15251   -64.55298
   46    39 S   OH   _O38    75     1.43666   111.71794    27.31479
   47    46 S   HO   _H35    76     0.97249   107.93912  -170.68354
   48    41 S   CT   _C11    42     1.53313   113.12577    61.47939
   49    48 S   HC   _H15    43     1.09651   109.36399  -148.95545
   50    48 S   HC   _H16    44     1.09781   108.46813    95.64057
   51    44 S   CT   _C19    63     1.53195   118.15821   177.23296
   52    51 S   HC   _H21    64     1.09596   110.11806   -44.42389
   53    51 S   HC   _H22    65     1.09457   112.04559    76.13717
   54    48 S   CM   _C10    45     1.51603   112.55180   -26.37991
   55    51 S   CT   _C20    66     1.54186   104.26386  -162.43107
   56    55 S   HC   _H6_    67     1.09423   109.20672   133.49800
   57    54 S   CM   _C9_    46     1.34260   119.38211   142.04331
   58    57 S   HC   _H14    47     1.08502   121.62844     2.95638
   59    55 S   CT   _C21    68     1.53904   106.98028     8.47452
   60    57 S   CO4  _C8_    48     1.47702   122.12722  -173.98539
   61    60 S   O    _O33    49     1.22970   119.57977  -177.94729
   62    44 S   CT   _C17    69     1.53877   114.88884    54.31138
   63    59 S   OS   _O34    81     1.42813   104.08545   -97.43007
   64    59 S   CO4  _C25    92     1.53878   113.23430   145.06214
   65    64 S   O    _O36    93     1.23271   121.47334   -17.33536
   66    60 S   CT   _C7_    50     1.50341   118.63731     5.78611
   67    66 S   HC   _H12    51     1.08915   109.13905    94.86989
   68    66 S   HC   _H13    52     1.09686   107.82118  -149.41854
   69    62 S   CT   _C16    70     1.53892   104.65990   -63.22002
   70    69 S   HC   _H19    71     1.09277   109.31816   -61.39140
   71    69 S   HC   _H20    72     1.09476   109.40123  -177.46773
   72    62 S   CT   _C27    77     1.54982   113.33635    59.97408
   73    72 S   HC   _H32    78     1.09532   112.38162    70.55018
   74    72 S   HC   _H33    79     1.09168   113.37101   -49.14587
   75    72 S   HC   _H34    80     1.09592   110.56798  -170.03618
   76    63 S   CO   _C22    82     1.43034   107.00999   -22.12374
   77    64 S   CT   _C26    94     1.52016   117.44558   164.00593
   78    77 S   HC   _H29    95     1.09080   109.33838    71.41719
   79    77 S   HC   _H30    96     1.09228   110.07677   -50.35449
   80    66 S   CT   _C6_    53     1.51883   111.85841   -30.26720
   81    80 S   HC   _H10    54     1.09292   109.49712   175.11176
   82    80 S   HC   _H11    55     1.10126   105.07563   -73.67176
   83    55 S   OS   _O35    83     1.42477   110.99356  -107.29129
   84    76 S   CT   _C23    84     1.52301   108.93981   135.47519
   85    84 S   HC   _H23    85     1.09442   110.55541   -63.69873
   86    84 S   HC   _H24    86     1.09516   111.32544   177.89429
   87    84 S   HC   _H25    87     1.09491   111.42992    55.64366
   88    76 S   CT   _C24    88     1.52605   109.37564  -103.74211
   89    88 S   HC   _H26    89     1.09519   111.01009    62.71752
   90    88 S   HC   _H27    90     1.09502   111.23895   -56.60531
   91    88 S   HC   _H28    91     1.09524   111.22675  -178.57949
   92    77 S   OH   _O37    97     1.41504   110.12912  -169.74382
   93    92 S   HO   _H31    98     0.97224   107.27214  -179.28208
   94    33 S   CT   _C5_    56     1.65177   109.77762   -72.47970
   95    94 S   CT   _C4_    57     1.57318   114.01830   -18.88265
   96    95 S   HC   _H7_    58     1.09441   112.00621    75.38175
   97    95 S   HC   _H8_    59     1.09220   114.10529   -47.21826
   98    95 S   HC   _H9_    60     1.09911   110.88514  -166.77155
  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  13   5   4   3
  28   2   1   1  24  10  15   7  12   6   5  20   8   6   1   9
   4   3  12   6   5  13  13   6   9   4  19   8   4  13  15  10
   4   7   5   4   7   2   1   3   2   1   1   9   4   3   2   7
   3   2   8   7   3   2   1   3   2   1   1   1   1   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    94    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    54    80    94    95    44    69    39    40    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    48    54    57    66    80    81    82    94    95    96    97    98    44    45    51    62    69    70    71    39    40    46    47  
   35    36  
   36  
    0  
   38    41    42    43    48    49    50    54    80    94    95    44    45    51    52    53    55    59    62    69    39    40    46    72  
   41    42    43    48    94    44    45    51    62    39  
   40    46    47    72    41    44    54    59    62    69    70    71    80    94    95  
   46    47    62    69    70    71    94  
   42    43    48    49    50    54    57    94    44    45    51    62  
   43    48    49    50    54    44  
   48    49    50    54    44  
   45    51    52    53    55    56    59    62    69    70    71    72    73    74    75    63    83    64    48    94  
   51    52    53    55    59    62    69    72  
   47    62    69    70    71    94  
   69  
   49    50    54    57    58    60    80    94    95  
   50    54    57    94  
   54    57    94  
   52    53    55    56    59    62    69    72    63    76    83    64  
   53    55    56    59    62    83  
   55    56    59    62    83  
   57    58    60    61    66    80    81    82    94    95    96    97    98  
   56    59    62    69    72    63    76    83    84    88    64    65    77  
   59    62    63    76    83    64  
   58    60    61    66    67    68    80    94    95  
   60    61    66    94  
   62    69    70    71    72    73    74    75    63    76    83    84    88    64    65    77    78    79    92  
   61    66    67    68    80    81    82    94  
   66    67    68    80  
   69    70    71    72    73    74    75    63    76    83    64    65    77  
   76    83    84    85    86    87    88    89    90    91    64    65    77    69    72  
   65    77    78    79    92    93    69    72    76    83  
   77    78    79    92  
   67    68    80    81    82    94    95  
   68    80    81    82    94  
   80    81    82    94  
   70    71    72    73    74    75    94  
   71    72  
   72  
   73    74    75  
   74    75  
   75  
    0  
   83    84    85    86    87    88    89    90    91  
   78    79    92    93  
   79    92    93  
   92    93  
   81    82    94    95    96    97    98  
   82    94    95  
   94    95  
   84    85    86    87    88    89    90    91  
   85    86    87    88    89    90    91  
   86    87    88  
   87    88  
   88  
   89    90    91  
   90    91  
   91  
    0  
   93  
    0  
   95    96    97    98  
   96    97    98  
   97    98  
   98  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    94   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    41   268.000  1.529
   37    44   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   317.000  1.510
   54    57   549.000  1.340
   54    94   317.000  1.510
   57    58   340.000  1.080
   57    60   320.000  1.462
   60    61   570.000  1.229
   60    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    94   268.000  1.529
   94    95   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   44    45   340.000  1.090
   44    51   268.000  1.529
   44    62   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    83   320.000  1.410
   59    62   268.000  1.529
   59    63   320.000  1.410
   59    64   317.000  1.522
   62    69   268.000  1.529
   62    72   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    39   268.000  1.529
   39    40   340.000  1.090
   39    46   320.000  1.410
   46    47   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   63    76   320.000  1.380
   76    83   320.000  1.380
   76    84   250.000  1.527
   76    88   250.000  1.527
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   64    65   570.000  1.229
   64    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    92   320.000  1.410
   92    93   553.000  0.945
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  111.63000
   29    33    94    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    41    58.35000  112.70000
   33    37    44    58.35000  112.70000
   33    94    54    70.00000  112.02700
   33    94    80    58.35000  112.70000
   33    94    95    58.35000  112.70000
   33    39    69    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    46    50.00000  109.50000
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    48    58.35000  112.70000
   37    44    45    37.50000  110.70000
   37    44    51    58.35000  112.70000
   37    44    62    58.35000  112.70000
   41    37    38    37.50000  110.70000
   41    48    49    37.50000  110.70000
   41    48    50    37.50000  110.70000
   41    48    54    70.00000  112.02700
   43    41    42    33.00000  107.80000
   48    41    42    37.50000  110.70000
   48    41    43    37.50000  110.70000
   48    54    57    70.00000  124.00000
   48    54    94    65.00000  117.92700
   50    48    49    33.00000  107.80000
   54    48    49    35.00000  109.50000
   54    48    50    35.00000  109.50000
   54    57    58    35.00000  120.00000
   54    57    60    65.00000  118.96000
   54    94    80    70.00000  112.02700
   54    94    95    70.00000  112.02700
   57    60    61    80.00000  123.72100
   57    60    66    65.00000  118.62400
   60    57    58    40.00000  117.72500
   60    66    67    35.00000  109.50000
   60    66    68    35.00000  109.50000
   60    66    80    63.00000  111.10000
   66    60    61    80.00000  120.40000
   66    80    81    37.50000  110.70000
   66    80    82    37.50000  110.70000
   66    80    94    58.35000  112.70000
   68    66    67    33.00000  107.80000
   80    66    67    37.50000  110.70000
   80    66    68    37.50000  110.70000
   80    94    95    58.35000  112.70000
   82    80    81    33.00000  107.80000
   94    33    37    58.35000  112.70000
   94    54    57    70.00000  124.00000
   94    80    81    37.50000  110.70000
   94    80    82    37.50000  110.70000
   94    95    96    37.50000  110.70000
   94    95    97    37.50000  110.70000
   94    95    98    37.50000  110.70000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    41    58.35000  112.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    55    58.35000  112.70000
   44    62    59    58.35000  112.70000
   44    62    69    58.35000  112.70000
   44    62    72    58.35000  112.70000
   51    44    45    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    59    58.35000  112.70000
   51    55    83    50.00000  109.50000
   53    51    52    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    37.50000  110.70000
   55    59    62    58.35000  112.70000
   55    59    63    50.00000  109.50000
   55    59    64    63.00000  111.10000
   55    83    76    60.00000  109.50000
   59    55    56    37.50000  110.70000
   59    62    69    58.35000  112.70000
   59    62    72    58.35000  112.70000
   59    63    76    60.00000  109.50000
   59    64    65    80.00000  120.40000
   59    64    77    70.00000  116.00000
   62    44    45    37.50000  110.70000
   62    44    51    58.35000  112.70000
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    39    58.35000  112.70000
   62    72    73    37.50000  110.70000
   62    72    74    37.50000  110.70000
   62    72    75    37.50000  110.70000
   69    39    40    37.50000  110.70000
   69    39    46    50.00000  109.50000
   71    69    70    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    94    58.35000  112.70000
   39    69    70    37.50000  110.70000
   39    69    71    37.50000  110.70000
   39    46    47    55.00000  108.50000
   46    39    40    35.00000  109.50000
   72    62    69    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   63    59    62    50.00000  109.50000
   63    76    83    92.60000  111.55000
   63    76    84    90.00000  108.56700
   63    76    88    90.00000  108.56700
   76    84    85    45.00000  108.72000
   76    84    86    45.00000  108.72000
   76    84    87    45.00000  108.72000
   76    88    89    45.00000  108.72000
   76    88    90    45.00000  108.72000
   76    88    91    45.00000  108.72000
   83    55    56    35.00000  109.50000
   83    55    59    50.00000  109.50000
   84    76    83    90.00000  108.56700
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   88    76    83    90.00000  108.56700
   88    76    84    65.00000  112.71400
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   64    59    62    63.00000  111.10000
   64    59    63    90.00000  108.74100
   64    77    78    35.00000  109.50000
   64    77    79    35.00000  109.50000
   64    77    92    90.00000  109.61100
   77    64    65    80.00000  120.40000
   77    92    93    55.00000  108.50000
   79    77    78    33.00000  107.80000
   92    77    78    35.00000  109.50000
   92    77    79    35.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    94   0.01700  1.0 1.0
   24    29    33    94  -0.23550 -1.0 2.0
   24    29    33    94   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
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   83    55    59    62   0.62750  1.0 1.0
   83    55    59    62  -0.30950 -1.0 2.0
   83    55    59    62   0.27300  1.0 3.0
   83    55   -59    63   1.11900  1.0 1.0
   83    55   -59    63  -1.16350 -1.0 2.0
   83    55   -59    63  -0.34150  1.0 3.0
   83    55    59    64  -0.09450  1.0 1.0
   83    55    59    64  -1.12950 -1.0 2.0
   83    55    59    64   0.54000  1.0 3.0
   83    76    84    85   0.23400  1.0 3.0
   83    76    84    86   0.23400  1.0 3.0
   83    76    84    87   0.23400  1.0 3.0
   83    76    88    89   0.23400  1.0 3.0
   83    76    88    90   0.23400  1.0 3.0
   83    76    88    91   0.23400  1.0 3.0
   84    76    83    55   0.06250  1.0 1.0
   84    76    83    55  -0.01100 -1.0 2.0
   84    76    83    55   0.28050  1.0 3.0
   84    76    88    89   0.15000  1.0 3.0
   84    76    88    90   0.15000  1.0 3.0
   84    76    88    91   0.15000  1.0 3.0
   88    76    83    55   0.06250  1.0 1.0
   88    76    83    55  -0.01100 -1.0 2.0
   88    76    83    55   0.28050  1.0 3.0
   88    76    84    85   0.15000  1.0 3.0
   88    76    84    86   0.15000  1.0 3.0
   88    76    84    87   0.15000  1.0 3.0
   64    59    62    44  -0.95700  1.0 1.0
   64    59    62    44  -0.18200 -1.0 2.0
   64    59    62    44   0.29450  1.0 3.0
   64    59    62    69  -0.95700  1.0 1.0
   64    59    62    69  -0.18200 -1.0 2.0
   64    59    62    69   0.29450  1.0 3.0
   64    59    62    72  -0.95700  1.0 1.0
   64    59    62    72  -0.18200 -1.0 2.0
   64    59    62    72   0.29450  1.0 3.0
   64    59    63    76  -1.11000  1.0 1.0
   64    59    63    76   0.50250 -1.0 2.0
   64    59    63    76   0.47450  1.0 3.0
   64    77    92    93   0.91850  1.0 1.0
   64    77    92    93   0.57950  1.0 3.0
   65    64    77    78   0.00000  1.0 1.0
   65    64    77    79   0.00000  1.0 1.0
   65    64    77    92   0.30150 -1.0 2.0
   78    77    92    93   0.19450  1.0 3.0
   79    77    92    93   0.19450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   48    94    54    57   1.10000 -1.0 2.0
   60    58    57    54   1.10000 -1.0 2.0
   57    66    60    61  10.50000 -1.0 2.0
   59    77    64    65  10.50000 -1.0 2.0
END
