* LIGAND DATABASE FILE (OPLS2005)
*
001      90    93    166    251     479
    1     0 S   NP   _N1_     1    28.74489    95.09917   -21.94307
    2     1 S   H    _HN1     2     1.02930    81.97678    13.95930
    3     1 S   H    _H1_     3     1.02850    34.41320   151.45901
    4     1 S   H    _H2_     4     1.02804    94.74696   -93.74122
    5     1 S   CT   _CA1     5     1.50026   143.51100   128.22665
    6     5 S   HC   _HA1     6     1.09593   105.29679    73.81305
    7     5 S   CO3  _C1_     7     1.53825   111.92866   -46.16916
    8     7 S   O2Z  _O11     8     1.26378   115.16945   -62.64799
    9     7 S   O2Z  _O12     9     1.26244   114.90578   116.51554
   10     5 S   CT   _CB1    10     1.53077   107.39688  -168.67420
   11    10 S   HC   HB11    11     1.09829   109.58757   -52.17305
   12    10 S   HC   HB12    12     1.09782   110.53661    64.36518
   13    10 S   CT   _CG1    13     1.52916   112.21207  -173.00302
   14    13 S   HC   HG11    14     1.09578   110.71514   -59.77616
   15    13 S   HC   HG12    15     1.09657   109.78911    59.33558
   16    13 S   C    _CD1    16     1.51680   112.21639  -179.91607
   17    16 S   O    _OE1    17     1.22730   123.33344     5.51303
   18    16 S   N    _N2_    18     1.38607   111.53471  -174.94038
   19    18 S   H    _HN2    19     1.01582   118.91821     2.33431
   20    18 S   CT1  _CA2    20     1.46117   123.33346  -179.73093
   21    20 S   HC   _HA2    21     1.09726   109.40032    -2.64205
   22    20 S   C    _C2_    22     1.53400   108.60665  -118.36131
   23    22 S   O    _O2_    23     1.23047   122.27537  -147.83583
   24    20 S   CT   _CB2    32     1.53257   111.38935   119.24553
   25    24 S   HC   HB21    33     1.09472   110.01209    58.64335
   26    24 S   HC   HB22    34     1.09532   110.34989   177.30223
   27    22 S   N    _N3_    24     1.38328   113.60598    39.54477
   28    27 S   H    _HN3    25     1.01621   119.53360    -3.41346
   29    24 S   S    _SG2    35     1.82633   111.57199   -62.99640
   30    27 S   CT   _CA3    26     1.45290   123.15730   177.06668
   31    30 S   HC   HA31    27     1.09550   107.51576   -64.37145
   32    30 S   HC   HA32    28     1.09558   107.96314    52.04497
   33    29 S   CT   _C10    36     1.82048    99.26371   168.71720
   34    33 S   HC   _H4_    37     1.09842   106.63865    44.76751
   35    30 S   CO3  _C3_    29     1.52943   114.12477   174.05862
   36    35 S   O2Z  _O31    30     1.26367   116.06450    -0.07133
   37    35 S   O2Z  _O32    31     1.26428   114.41035   180.00000
   38    33 S   CT   _C11    38     1.52076   112.43631   162.57229
   39    38 S   HC   _H5_    39     1.09617   111.68134    48.00847
   40    38 S   CT   _C12    40     1.52681   100.54447   165.88918
   41    40 S   HC   _H6_    41     1.09840   109.67520    78.10367
   42    38 S   OH   _O45    89     1.41718   112.28696   -74.29739
   43    42 S   HO   _H20    90     0.97167   108.74559   -63.76115
   44    40 S   OS   _O33    42     1.43851   105.88195   -38.02532
   45    40 S   CT   _C13    59     1.52163   114.29523  -160.14289
   46    45 S   HC   _H13    60     1.09541   110.08292   179.88809
   47    45 S   HC   _H14    61     1.09366   110.83865    61.97819
   48    33 S   CO   _C9_    43     1.53787   118.32075   -78.48718
   49    48 S   HC   _H3_    44     1.09678   110.08302    94.07600
   50    45 S   OS   _O34    62     1.42002   109.70924   -60.30508
   51    48 S   N*   _N6_    45     1.45464   117.39896   -28.02164
   52    50 S   P2   _P1_    63     1.63515   118.75869   157.23461
   53    52 S   O2Z  _O36    64     1.51234   107.84734  -178.81419
   54    52 S   O2Z  _O35    65     1.51285   108.46500    48.63617
   55    51 S   CRAB _C8_    46     1.37421   124.13797    95.64576
   56    55 S   HA   _H12    47     1.08146   122.42542     1.42491
   57    52 S   OS   _O37    66     1.62766    98.89031   -65.42530
   58    55 S   NNA  _N7_    48     1.31469   112.37798  -177.88049
   59    57 S   P2   _P2_    67     1.62651   130.74051   178.55301
   60    59 S   O2Z  _O39    68     1.51258   108.90159   -59.59725
   61    59 S   O2Z  _O38    69     1.51271   109.43932    74.56728
   62    58 S   C56B _C6_    49     1.37407   104.89278    -2.05300
   63    59 S   OS   _O40    70     1.63291    98.63578  -171.56583
   64    51 S   C56A _C7_    50     1.37013   129.13373   -85.23820
   65    63 S   CT   _C14    71     1.42475   119.69591   -76.17946
   66    65 S   HC   _H15    72     1.09458   107.44382   -86.68773
   67    65 S   HC   _H16    73     1.09479   110.09592    32.24994
   68    64 S   NB   _N5_    51     1.34072   128.32297    -1.69916
   69    65 S   CT   _C15    74     1.52103   108.30064   153.27094
   70    69 S   HC   _H7_    75     1.09500   108.53525   -56.33351
   71    68 S   CQ   _C4_    52     1.34576   111.26037  -179.71884
   72    71 S   HA   _H11    53     1.08520   115.78653  -180.00000
   73    69 S   CT   _C16    76     1.51842   114.25176   179.56749
   74    73 S   HC   _H8_    77     1.09688   110.71724   -41.14228
   75    71 S   NB   _N4_    54     1.35172   128.48797    -0.70332
   76    73 S   CT   _C17    78     1.51895   101.24637  -157.53828
   77    76 S   HC   _H9_    79     1.09398   112.58449   162.50096
   78    73 S   OH   _O44    87     1.41149   112.12870    80.49193
   79    78 S   HO   _H19    88     0.97230   107.88385   155.52463
   80    62 S   CA   _C5_    55     1.40435   131.52405  -178.96240
   81    76 S   CO   _C18    80     1.52464   101.04335    39.94256
   82    81 S   HC   _H10    81     1.09441   112.93578  -150.31583
   83    76 S   OH   _O43    85     1.42565   110.14048   -76.33777
   84    83 S   HO   _H18    86     0.97559   107.17362   170.13189
   85    80 S   NND  _N8_    56     1.38062   122.36716    -1.82831
   86    85 S   H    _H21    57     1.01240   120.66515    -6.18022
   87    85 S   H    _H22    58     1.01006   119.20189  -176.70259
   88    69 S   OS   _O41    82     1.44109   110.25857    61.11135
   89    81 S   OH   _O42    83     1.42207   109.09820    87.85074
   90    89 S   HO   _H17    84     0.97209   106.43904   163.24364
  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
  14   8   2   1   1  13   7  12   7   4   1   9   8   3   2   8
   3   5   8   7   3   2   6   3   5   6   7   3   2   8   7   6
  10   5   4   4  12   6   4   2  11   7   4  10   7   4   1   3
   6   4   3   1   2   1   1   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    48    49    51    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    51    55    64    45    42    43  
   38    39    40    44    48    49    51    42  
   36    37  
   37  
    0  
   39    40    41    44    48    49    51    45    46    47    50    42    43  
   40    41    44    48    45    42    43  
   41    44    48    49    51    45    46    47    50    52    42    43  
   44    48    45    46    47    50    42  
   43    44    45    48  
    0  
   48    49    51    55    64    45    46    47    50  
   46    47    50    52    53    54    57    48  
   47    50    52  
   50    52  
   49    51    55    56    58    62    64    68  
   51    55    64  
   52    53    54    57    59  
   55    56    58    62    64    68    71    80  
   53    54    57    59    60    61    63  
   54    57    59  
   57    59  
   56    58    62    64    68    80  
   58    62    64  
   59    60    61    63    65  
   62    64    68    75    80    85  
   60    61    63    65    66    67    69  
   61    63    65  
   63    65  
   64    68    71    75    80    85    86    87  
   65    66    67    69    70    73    88  
   68    71    72    75    80    85  
   66    67    69    70    73    74    76    81    88    78  
   67    69    70    73    88  
   69    70    73    88  
   71    72    75    80  
   70    73    74    76    77    81    82    88    89    83    78    79  
   73    74    76    81    88    78  
   72    75    80    85  
   75    80  
   74    76    77    81    82    88    89    83    84    78    79  
   76    77    81    88    83    78    79  
   80    85    86    87  
   77    81    82    88    89    90    83    84    78    79  
   81    82    88    89    83    84    78  
   79    81    83    88  
    0  
   85    86    87  
   82    88    89    90    83    84  
   88    89    90    83  
   84    88    89  
    0  
   86    87  
   87  
    0  
   89    90  
   90  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   50   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   52   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   53   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   54   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   55   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   57   2.8500   0.1400  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   58   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   59   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   60   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   61   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   62   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   63   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   69   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   76   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   81   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   86   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   87   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   88   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   89   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    48   250.000  1.527
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   320.000  1.410
   40    45   268.000  1.529
   44    48   320.000  1.380
   48    49   340.000  1.090
   48    51   275.000  1.479
   51    55   440.000  1.371
   51    64   436.000  1.374
   55    56   367.000  1.080
   55    58   529.000  1.304
   58    62   414.000  1.391
   62    64   447.000  1.419
   62    80   469.000  1.404
   64    68   461.000  1.354
   68    71   502.000  1.324
   71    72   367.000  1.080
   71    75   502.000  1.324
   75    80   483.000  1.339
   80    85   481.000  1.340
   85    86   434.000  1.010
   85    87   434.000  1.010
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   320.000  1.410
   50    52   230.000  1.697
   52    53   525.000  1.480
   52    54   525.000  1.480
   52    57   230.000  1.697
   57    59   230.000  1.697
   59    60   525.000  1.480
   59    61   525.000  1.480
   59    63   230.000  1.697
   63    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    69   268.000  1.529
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    88   320.000  1.410
   73    74   340.000  1.090
   73    76   268.000  1.529
   73    78   320.000  1.410
   76    77   340.000  1.090
   76    81   250.000  1.527
   76    83   320.000  1.410
   81    82   340.000  1.090
   81    88   320.000  1.380
   81    89   380.000  1.407
   89    90   553.000  0.945
   83    84   553.000  0.945
   78    79   553.000  0.945
   42    43   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    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    48    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    48    44    90.00000  108.56700
   33    48    49    45.00000  112.01100
   33    48    51    75.00000  107.44000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    50.00000  109.50000
   38    40    45    58.35000  112.70000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    48    60.00000  109.50000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    50    50.00000  109.50000
   44    40    41    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    51   105.00000  106.22000
   48    33    34    45.00000  108.72000
   48    33    38    75.00000  109.43000
   48    51    55    70.00000  128.80000
   48    51    64    70.00000  125.80000
   51    48    49    55.00000  103.44000
   51    55    56    35.00000  123.05000
   51    55    58    70.00000  113.90000
   51    64    62    70.00000  106.20000
   51    64    68    70.00000  126.20000
   55    58    62    70.00000  103.80000
   58    55    56    35.00000  123.05000
   58    62    64    70.00000  110.40000
   58    62    80    70.00000  132.40000
   62    64    68    70.00000  127.70000
   62    80    75    70.00000  117.30000
   62    80    85    70.00000  123.50000
   64    51    55    70.00000  105.40000
   64    68    71    70.00000  111.00000
   68    71    72    35.00000  115.45000
   68    71    75    70.00000  129.10000
   71    75    80    70.00000  118.60000
   75    71    72    35.00000  115.45000
   75    80    85    70.00000  119.30000
   80    62    64    85.00000  116.20000
   80    85    86    35.00000  120.00000
   80    85    87    35.00000  120.00000
   87    85    86    35.00000  120.00000
   45    40    41    37.50000  110.70000
   45    40    44    50.00000  109.50000
   45    50    52   100.00000  120.50000
   47    45    46    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    35.00000  109.50000
   50    52    53   100.00000  108.23000
   50    52    54   100.00000  108.23000
   50    52    57    45.00000  102.60000
   52    57    59    50.00000  132.62000
   54    52    53   140.00000  119.90000
   57    52    53   100.00000  108.23000
   57    52    54   100.00000  108.23000
   57    59    60   100.00000  108.23000
   57    59    61   100.00000  108.23000
   57    59    63    45.00000  102.60000
   59    63    65   100.00000  120.50000
   61    59    60   140.00000  119.90000
   63    59    60   100.00000  108.23000
   63    59    61   100.00000  108.23000
   63    65    66    35.00000  109.50000
   63    65    67    35.00000  109.50000
   63    65    69    50.00000  109.50000
   65    69    70    37.50000  110.70000
   65    69    73    58.35000  112.70000
   65    69    88    50.00000  109.50000
   67    65    66    33.00000  107.80000
   69    65    66    37.50000  110.70000
   69    65    67    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    76    58.35000  112.70000
   69    73    78    50.00000  109.50000
   69    88    81    60.00000  109.50000
   73    69    70    37.50000  110.70000
   73    76    77    37.50000  110.70000
   73    76    81    75.00000  109.43000
   73    76    83    50.00000  109.50000
   73    78    79    55.00000  108.50000
   76    73    74    37.50000  110.70000
   76    81    82    45.00000  112.01100
   76    81    88    90.00000  108.56700
   76    81    89    90.00000  110.19100
   76    83    84    55.00000  108.50000
   81    76    77    45.00000  108.72000
   81    89    90    70.00000  107.92000
   88    69    70    35.00000  109.50000
   88    69    73    50.00000  109.50000
   88    81    82    35.00000  109.50000
   89    81    82    60.00000  108.02500
   89    81    88   110.00000  112.08000
   83    76    77    35.00000  109.50000
   83    76    81    90.00000  111.58700
   78    73    74    35.00000  109.50000
   78    73    76    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  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    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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  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    48    44   0.56750  1.0 1.0
   29    33    48    44  -0.07550 -1.0 2.0
   29    33    48    44   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    51   0.56750  1.0 1.0
   29    33    48    51  -0.07550 -1.0 2.0
   29    33    48    51   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38   -40    44   0.62750  1.0 1.0
   33    38   -40    44  -0.30950 -1.0 2.0
   33    38   -40    44   0.27300  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    48    51    55   1.10250  1.0 1.0
   33    48    51    55   0.01650 -1.0 2.0
   33    48    51    55   0.39100  1.0 3.0
   33    48    51    64   1.10250  1.0 1.0
   33    48    51    64   0.01650 -1.0 2.0
   33    48    51    64   0.39100  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    42   0.23400  1.0 3.0
   34    33    48    44   0.23400  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    51   0.15000  1.0 3.0
   38    33   -48    44   0.62750  1.0 1.0
   38    33   -48    44  -0.30950 -1.0 2.0
   38    33   -48    44   0.27300  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    51  -0.64600  1.0 1.0
   38    33    48    51   0.58400 -1.0 2.0
   38    40   -44    48   0.06250  1.0 1.0
   38    40   -44    48  -0.01100 -1.0 2.0
   38    40   -44    48   0.28050  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40    45    47   0.15000  1.0 3.0
   38    40    45    50   0.62750  1.0 1.0
   38    40    45    50  -0.30950 -1.0 2.0
   38    40    45    50   0.27300  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.23400  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44   -48    33   0.06250  1.0 1.0
   40    44   -48    33  -0.01100 -1.0 2.0
   40    44   -48    33   0.28050  1.0 3.0
   40    44    48    49   0.37050  1.0 3.0
   40    44    48    51  -2.37750  1.0 1.0
   40    44    48    51  -0.08150 -1.0 2.0
   40    44    48    51   0.59000  1.0 3.0
   40    45    50    52  -2.65550  1.0 1.0
   40    45    50    52  -0.22350 -1.0 2.0
   40    45    50    52   0.24150  1.0 3.0
   41    40    44    48   0.37050  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    50   0.23400  1.0 3.0
   44    40    45    46   0.23400  1.0 3.0
   44    40    45    47   0.23400  1.0 3.0
   44    40    45    50   1.11900  1.0 1.0
   44    40    45    50  -1.16350 -1.0 2.0
   44    40    45    50  -0.34150  1.0 3.0
   44    48    51    55   0.10350  1.0 1.0
   44    48    51    55  -0.15350 -1.0 2.0
   44    48    51    64   0.10350  1.0 1.0
   44    48    51    64  -0.15350 -1.0 2.0
   48    33    38    39   0.15000  1.0 3.0
   48    33   -38    40   3.97050  1.0 1.0
   48    33    38    42   0.86500  1.0 1.0
   48    33    38    42  -0.17500 -1.0 2.0
   48    33    38    42   0.20800  1.0 3.0
   48    51    55    56   3.62500 -1.0 2.0
   48    51    55    58   3.62500 -1.0 2.0
   48    51    64    62   0.81400  1.0 1.0
   48    51    64    62   1.55550 -1.0 2.0
   48    51    64    68   3.62500 -1.0 2.0
   49    48    51    55   0.00000  1.0 1.0
   49    48    51    64   0.00000  1.0 1.0
   51    55   -58    62   3.62500 -1.0 2.0
   51    64    68    71   3.62500 -1.0 2.0
   55    51   -64    62   0.70250  1.0 1.0
   55    51   -64    62   1.56150 -1.0 2.0
   55    51    64    68   3.62500 -1.0 2.0
   55    58   -62    64   3.62500 -1.0 2.0
   55    58    62    80   3.62500 -1.0 2.0
   56    55    58    62   3.62500 -1.0 2.0
   58    62   -64    51   3.62500 -1.0 2.0
   58    62    64    68   3.62500 -1.0 2.0
   58    62    80    75   3.62500 -1.0 2.0
   58    62    80    85   3.62500 -1.0 2.0
   62    64    68    71   3.62500 -1.0 2.0
   62    80    85    86   0.70000 -1.0 2.0
   62    80    85    87   0.70000 -1.0 2.0
   64    51    55    56   3.62500 -1.0 2.0
   64    51   -55    58   3.62500 -1.0 2.0
   64    62    80    75   3.62500 -1.0 2.0
   64    62    80    85   3.62500 -1.0 2.0
   64    68    71    72   3.62500 -1.0 2.0
   64    68   -71    75   3.62500 -1.0 2.0
   68    71    75    80   3.62500 -1.0 2.0
   71    75   -80    62   3.62500 -1.0 2.0
   71    75    80    85   3.62500 -1.0 2.0
   72    71    75    80   3.62500 -1.0 2.0
   75    80    85    86   0.70000 -1.0 2.0
   75    80    85    87   0.70000 -1.0 2.0
   80    62    64    51   3.00000 -1.0 2.0
   80    62   -64    68   3.62500 -1.0 2.0
   45    40    44    48   0.06250  1.0 1.0
   45    40    44    48  -0.01100 -1.0 2.0
   45    40    44    48   0.28050  1.0 3.0
   45    50    52    53   0.00000  1.0 1.0
   45    50    52    54   0.00000  1.0 1.0
   45    50    52    57   0.05050  1.0 1.0
   45    50    52    57  -1.30700 -1.0 2.0
   45    50    52    57   0.91550  1.0 3.0
   46    45    50    52   0.03000  1.0 3.0
   47    45    50    52   0.03000  1.0 3.0
   50    52    57    59   0.15000  1.0 3.0
   52    57    59    60   0.50000  1.0 3.0
   52    57    59    61   0.50000  1.0 3.0
   52    57    59    63   0.15000  1.0 3.0
   53    52    57    59   0.50000  1.0 3.0
   54    52    57    59   0.50000  1.0 3.0
   57    59    63    65   0.05050  1.0 1.0
   57    59    63    65  -1.30700 -1.0 2.0
   57    59    63    65   0.91550  1.0 3.0
   59    63    65    66   0.03000  1.0 3.0
   59    63    65    67   0.03000  1.0 3.0
   59    63    65    69  -2.65550  1.0 1.0
   59    63    65    69  -0.22350 -1.0 2.0
   59    63    65    69   0.24150  1.0 3.0
   60    59    63    65   0.00000  1.0 1.0
   61    59    63    65   0.00000  1.0 1.0
   63    65    69    70   0.23400  1.0 3.0
   63    65    69    73   0.62750  1.0 1.0
   63    65    69    73  -0.30950 -1.0 2.0
   63    65    69    73   0.27300  1.0 3.0
   63    65    69    88   1.11900  1.0 1.0
   63    65    69    88  -1.16350 -1.0 2.0
   63    65    69    88  -0.34150  1.0 3.0
   65    69    73    74   0.15000  1.0 3.0
   65    69    73    76   0.56750  1.0 1.0
   65    69    73    76  -0.07550 -1.0 2.0
   65    69    73    76   0.20000  1.0 3.0
   65    69    73    78   0.86500  1.0 1.0
   65    69    73    78  -0.17500 -1.0 2.0
   65    69    73    78   0.20800  1.0 3.0
   65    69    88    81   0.06250  1.0 1.0
   65    69    88    81  -0.01100 -1.0 2.0
   65    69    88    81   0.28050  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    73   0.15000  1.0 3.0
   66    65    69    88   0.23400  1.0 3.0
   67    65    69    70   0.15000  1.0 3.0
   67    65    69    73   0.15000  1.0 3.0
   67    65    69    88   0.23400  1.0 3.0
   69    73    76    77   0.15000  1.0 3.0
   69    73   -76    81   3.97050  1.0 1.0
   69    73    76    83   0.86500  1.0 1.0
   69    73    76    83  -0.17500 -1.0 2.0
   69    73    76    83   0.20800  1.0 3.0
   69    73    78    79  -0.11600  1.0 1.0
   69    73    78    79  -0.09450 -1.0 2.0
   69    73    78    79   0.21250  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    76   0.15000  1.0 3.0
   70    69    73    78   0.23400  1.0 3.0
   70    69    88    81   0.37050  1.0 3.0
   73    69   -88    81   0.06250  1.0 1.0
   73    69   -88    81  -0.01100 -1.0 2.0
   73    69   -88    81   0.28050  1.0 3.0
   73    76    81    82   0.15000  1.0 3.0
   73    76   -81    88   0.62750  1.0 1.0
   73    76   -81    88  -0.30950 -1.0 2.0
   73    76   -81    88   0.27300  1.0 3.0
   73    76    81    89   0.86500  1.0 1.0
   73    76    81    89  -0.17500 -1.0 2.0
   73    76    81    89   0.20800  1.0 3.0
   73    76    83    84  -0.11600  1.0 1.0
   73    76    83    84  -0.09450 -1.0 2.0
   73    76    83    84   0.21250  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    81   0.15000  1.0 3.0
   74    73    76    83   0.23400  1.0 3.0
   74    73    78    79   0.19450  1.0 3.0
   76    73    78    79  -0.11600  1.0 1.0
   76    73    78    79  -0.09450 -1.0 2.0
   76    73    78    79   0.21250  1.0 3.0
   76    81   -88    69   0.06250  1.0 1.0
   76    81   -88    69  -0.01100 -1.0 2.0
   76    81   -88    69   0.28050  1.0 3.0
   76    81    89    90  -0.11600  1.0 1.0
   76    81    89    90  -0.09450 -1.0 2.0
   76    81    89    90   0.21250  1.0 3.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    88   0.23400  1.0 3.0
   77    76    81    89   0.23400  1.0 3.0
   77    76    83    84   0.19450  1.0 3.0
   81    76    83    84  -0.11600  1.0 1.0
   81    76    83    84  -0.09450 -1.0 2.0
   81    76    83    84   0.21250  1.0 3.0
   82    81    88    69   0.37050  1.0 3.0
   82    81    89    90   0.19450  1.0 3.0
   88    69    73    74   0.23400  1.0 3.0
   88    69   -73    76   0.62750  1.0 1.0
   88    69   -73    76  -0.30950 -1.0 2.0
   88    69   -73    76   0.27300  1.0 3.0
   88    69    73    78   3.69350  1.0 1.0
   88    69    73    78  -1.82950 -1.0 2.0
   88    81    89    90  -0.50000  1.0 1.0
   88    81    89    90  -0.73950 -1.0 2.0
   88    81    89    90   0.17150  1.0 3.0
   89    81    88    69  -0.70900  1.0 1.0
   89    81    88    69  -1.18000 -1.0 2.0
   89    81    88    69   0.91650  1.0 3.0
   83    76    81    82   0.23400  1.0 3.0
   83    76    81    88   3.69350  1.0 1.0
   83    76    81    88  -1.82950 -1.0 2.0
   83    76    81    89   3.75450  1.0 1.0
   78    73    76    77   0.23400  1.0 3.0
   78    73    76    81   0.86500  1.0 1.0
   78    73    76    81  -0.17500 -1.0 2.0
   78    73    76    81   0.20800  1.0 3.0
   78    73    76    83   3.75450  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   3.69350  1.0 1.0
   42    38    40    44  -1.82950 -1.0 2.0
   42    38    40    45   0.86500  1.0 1.0
   42    38    40    45  -0.17500 -1.0 2.0
   42    38    40    45   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   55    64    51    48   4.00000 -1.0 2.0
   58    56    55    51   1.10000 -1.0 2.0
   64    80    62    58   4.00000 -1.0 2.0
   62    68    64    51   4.00000 -1.0 2.0
   75    72    71    68   1.10000 -1.0 2.0
   75    85    80    62   4.00000 -1.0 2.0
   87    80    85    86   1.00000 -1.0 2.0
END
