* LIGAND DATABASE FILE (OPLS2005)
*
001      91    96    190    327     568
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02064    64.16669    75.90625
    3     1 S   H    _H1_     3     1.02145    48.28977  -128.89729
    4     1 S   H    _H2_     4     1.02036   105.68298   -27.66782
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C22    36     1.82739    97.99434   -78.13967
   34    33 S   HC   _H8_    37     1.09127   106.15847    39.56817
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C23    38     1.48665   107.45636   -80.00773
   39    38 S   HC   _H28    39     1.08048   125.64116    69.33537
   40    38 S   CM   _C24    40     1.33246   108.82122  -108.98441
   41    40 S   OS   _O33    41     1.39005   114.95271    -1.31299
   42    40 S   OH   _O34    90     1.36717   124.02135   177.77024
   43    42 S   HO   _H29    91     0.96658   110.61854    -0.03426
   44    33 S   CT   _C21    42     1.56153   118.68670   167.56511
   45    44 S   CT   _C20    43     1.55604   116.08704   -28.73222
   46    45 S   HC   _H26    44     1.09732   110.37837   143.15670
   47    45 S   HC   _H27    45     1.09042   114.84921    25.36648
   48    45 S   CT   _C19    46     1.53900   106.99495   -97.87052
   49    48 S   HC   _H24    47     1.09556   110.90936   121.11030
   50    48 S   HC   _H25    48     1.09612   110.23143  -119.83613
   51    48 S   CT   _C18    49     1.52651   105.15172     0.78783
   52    51 S   HC   _H7_    50     1.10151   106.08519    84.71560
   53    51 S   CT   _C13    51     1.53576   118.02157  -156.31194
   54    53 S   HC   _H5_    52     1.09519   109.22510    60.65301
   55    53 S   CT   _C12    53     1.53757   110.87161   -58.41663
   56    55 S   HC   _H18    54     1.09762   109.68545   -58.40222
   57    55 S   HC   _H19    55     1.09542   109.45254    59.35672
   58    53 S   CT   _C14    71     1.55827   109.10755  -179.35320
   59    58 S   HC   _H6_    72     1.10152   105.82536    62.36426
   60    55 S   CT   _C11    56     1.52505   111.77549  -179.97202
   61    60 S   HC   _H4_    57     1.09704   108.20213   175.98829
   62    58 S   CT   _C15    73     1.55137   111.67855   -52.17788
   63    62 S   HC   _H20    74     1.09323   110.62245   -71.60176
   64    62 S   HC   _H21    75     1.09569   110.06050   171.71577
   65    60 S   C3T  _C9_    58     1.50490   112.10670    53.37483
   66    62 S   CT   _C16    76     1.53957   113.24002    51.09919
   67    66 S   HC   _H22    77     1.09381   107.03018    69.03722
   68    66 S   HC   _H23    78     1.09713   109.20519  -176.17372
   69    60 S   OH   _O35    88     1.42633   108.89345   -68.27942
   70    69 S   HO   _H33    89     0.96897   106.44653   -60.00886
   71    65 S   C3T  _C10    59     1.52113   116.21177   158.34481
   72    71 S   HC   _H16    60     1.08260   119.34451   139.35930
   73    71 S   HC   _H17    61     1.08515   118.54728    -5.41942
   74    44 S   CT   _C17    79     1.58259   114.97826  -146.33607
   75    65 S   C3T  _C8_    62     1.50036   120.93161    89.67491
   76    75 S   HC   _H3_    63     1.07978   120.49643    -4.69928
   77    74 S   CT   _C25    80     1.56016   109.67297  -159.29041
   78    77 S   HC   _H30    81     1.07839   108.13751   -50.03935
   79    77 S   HC   _H31    82     1.07814   108.18175  -170.00255
   80    77 S   HC   _H32    83     1.07821   108.20909    69.98475
   81    75 S   CT   _C7_    64     1.49873   109.21301  -140.68503
   82    81 S   HC   _H14    65     1.09481   111.84205  -139.89000
   83    81 S   HC   _H15    66     1.09488   109.89238    99.62798
   84    81 S   CT   _C6_    67     1.53578   104.66729   -19.11034
   85    84 S   HC   _H12    68     1.09328   111.52256   155.60145
   86    84 S   HC   _H13    69     1.09729   108.87469   -87.04279
   87    65 S   CT   _C5_    70     1.54532   118.09430   -46.48530
   88    87 S   CT   _C4_    84     1.53660   110.58490   -82.09143
   89    88 S   HC   _H9_    85     1.08609   109.34510    67.30963
   90    88 S   HC   _H10    86     1.08474   109.42272   -52.66905
   91    88 S   HC   _H11    87     1.08576   109.34470  -172.72463
  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   9   5   4   3
  15   7   2   1   1   8   4   6  11   2   1  18  11   6   5  11
   5   4  19   7  19   9  14   6   5  21   8  13   6  11   6   5
  18   8   3   2   4   1  10   5   4   4   9   5   3   2   1   1
   7   5   4   7   3   2   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    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    44    45    74  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    45    46    47    48    51    66    74    77    42  
   38    39    40    41    44    45    74  
   36    37  
   37  
    0  
   39    40    41    44    45    74    42    43  
   40    41    44    42  
   41    44    45    74    42    43  
   44    45    46    47    48    51    66    74    77    42    43  
   43    44  
    0  
   45    46    47    48    49    50    51    52    53    62    66    67    68    74    77    78    79    80  
   46    47    48    49    50    51    52    53    66    74    77  
   47    48    49    50    51    74  
   48    49    50    51    74  
   49    50    51    52    53    54    55    58    66    74    77  
   50    51    52    53    74  
   51    52    53    74  
   52    53    54    55    56    57    60    87    58    59    62    66    67    68    74    77    78    79    80  
   53    54    55    58    66    74    77  
   54    55    56    57    60    61    65    84    87    58    59    62    63    64    66    74    77    88    69  
   55    56    57    60    87    58    59    62    74  
   56    57    60    61    65    71    75    87    58    59    62    74    69    70  
   57    60    61    65    58    69  
   60    61    65    58    69  
   59    62    63    64    66    67    68    74    88    89    90    91    60    65    71    75    81    84    85    86    87  
   62    63    64    66    88    65    84    87  
   61    65    71    72    73    75    76    81    84    87    88    69    70  
   65    71    75    87    69    70  
   63    64    66    67    68    74    77    88    65    84    87  
   64    66    67    68    74    87  
   66    67    68    74    87  
   71    72    73    75    76    81    82    83    84    85    86    87    88    89    90    91    69    70  
   67    68    74    77    78    79    80    87  
   68    74    77  
   74    77  
   70    71    75    87  
    0  
   72    73    75    76    81    82    83    84    87    88  
   73    75    76    81    87  
   75    76    81    87  
   77    78    79    80  
   76    81    82    83    84    85    86    87    88  
   81    82    83    84    87  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85    86    87    88  
   83    84    85    86    87  
   84    85    86    87  
   85    86    87    88    89    90    91  
   86    87    88  
   87    88  
   88    89    90    91  
   89    90    91  
   90    91  
   91  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5000   0.0660  -0.120000   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  -0.120000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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
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   317.000  1.510
   33    44   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   268.000  1.529
   44    74   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    74   268.000  1.529
   53    54   340.000  1.090
   53    55   268.000  1.529
   53    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    65   275.000  1.510
   60    69   320.000  1.410
   65    71   260.000  1.509
   65    75   260.000  1.509
   65    87   275.000  1.510
   71    72   340.000  1.088
   71    73   340.000  1.088
   71    75   260.000  1.509
   75    76   340.000  1.088
   75    81   275.000  1.510
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   268.000  1.529
   87    58   268.000  1.529
   87    88   268.000  1.529
   58    59   340.000  1.090
   58    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   268.000  1.529
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   69    70   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  112.20000
   29    33    44    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    44    41    50.00000  109.50000
   33    44    45    58.35000  112.70000
   33    44    74    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    80.00000  120.01400
   38    40    42    80.00000  121.38400
   40    38    39    35.00000  120.00000
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    50.00000  109.50000
   41    44    74    50.00000  109.50000
   44    33    34    37.50000  110.70000
   44    33    38    70.00000  112.02700
   44    45    46    37.50000  110.70000
   44    45    47    37.50000  110.70000
   44    45    48    58.35000  112.70000
   44    74    51    58.35000  112.70000
   44    74    66    58.35000  112.70000
   44    74    77    58.35000  112.70000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    58.35000  112.70000
   48    51    74    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    55    58.35000  112.70000
   51    53    58    58.35000  112.70000
   51    74    66    58.35000  112.70000
   51    74    77    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    55    56    37.50000  110.70000
   53    55    57    37.50000  110.70000
   53    55    60    58.35000  112.70000
   53    58    87    58.35000  112.70000
   53    58    59    37.50000  110.70000
   53    58    62    58.35000  112.70000
   55    53    54    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    65    70.00000  112.37300
   55    60    69    50.00000  109.50000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    65    71    60.00000  120.94000
   60    65    75    60.00000  120.94000
   60    65    87    58.35000  112.70000
   60    69    70    55.00000  108.50000
   65    60    61    45.00000  109.38400
   65    71    72    37.50000  117.20000
   65    71    73    37.50000  117.20000
   65    71    75    10.00000   60.00500
   65    75    71    10.00000   60.00500
   65    75    76    37.50000  117.20000
   65    75    81    60.00000  120.94000
   65    87    84    70.00000  112.37300
   65    87    58    70.00000  112.37300
   65    87    88    70.00000  112.37300
   71    75    76    37.50000  117.20000
   71    75    81    60.00000  120.94000
   73    71    72    35.00000  114.30000
   75    65    71    10.00000   60.00500
   75    71    72    37.50000  117.20000
   75    71    73    37.50000  117.20000
   75    81    82    45.00000  109.38400
   75    81    83    45.00000  109.38400
   75    81    84    70.00000  112.37300
   81    75    76    40.00000  115.04500
   81    84    85    37.50000  110.70000
   81    84    86    37.50000  110.70000
   81    84    87    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    81    82    37.50000  110.70000
   84    81    83    37.50000  110.70000
   84    87    58    58.35000  112.70000
   84    87    88    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    65    71    60.00000  120.94000
   87    65    75    60.00000  120.94000
   87    84    85    37.50000  110.70000
   87    84    86    37.50000  110.70000
   87    58    59    37.50000  110.70000
   87    58    62    58.35000  112.70000
   87    88    89    37.50000  110.70000
   87    88    90    37.50000  110.70000
   87    88    91    37.50000  110.70000
   58    53    54    37.50000  110.70000
   58    53    55    58.35000  112.70000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    66    58.35000  112.70000
   62    58    59    37.50000  110.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    74    58.35000  112.70000
   64    62    63    33.00000  107.80000
   66    62    63    37.50000  110.70000
   66    62    64    37.50000  110.70000
   66    74    77    58.35000  112.70000
   68    66    67    33.00000  107.80000
   74    44    45    58.35000  112.70000
   74    51    52    37.50000  110.70000
   74    51    53    58.35000  112.70000
   74    66    67    37.50000  110.70000
   74    66    68    37.50000  110.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   88    87    58    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   69    60    61    35.00000  109.50000
   69    60    65    50.00000  109.50000
   42    40    41   115.00000  116.36000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    44    41   0.56750  1.0 1.0
   29    33    44    41  -0.07550 -1.0 2.0
   29    33    44    41   0.20000  1.0 3.0
   29    33    44    45   0.44750  1.0 1.0
   29    33    44    45  -0.17800 -1.0 2.0
   29    33    44    45   0.20200  1.0 3.0
   29    33    44    74   0.44750  1.0 1.0
   29    33    44    74  -0.17800 -1.0 2.0
   29    33    44    74   0.20200  1.0 3.0
   33    38   -40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    44    45    46   0.15000  1.0 3.0
   33    44    45    47   0.15000  1.0 3.0
   33    44    45    48   0.56750  1.0 1.0
   33    44    45    48  -0.07550 -1.0 2.0
   33    44    45    48   0.20000  1.0 3.0
   33    44    74    51   0.56750  1.0 1.0
   33    44    74    51  -0.07550 -1.0 2.0
   33    44    74    51   0.20000  1.0 3.0
   33    44    74    66   0.56750  1.0 1.0
   33    44    74    66  -0.07550 -1.0 2.0
   33    44    74    66   0.20000  1.0 3.0
   33    44    74    77   0.56750  1.0 1.0
   33    44    74    77  -0.07550 -1.0 2.0
   33    44    74    77   0.20000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    44    41   0.23400  1.0 3.0
   34    33    44    45   0.15000  1.0 3.0
   34    33    44    74   0.15000  1.0 3.0
   38    33   -44    41   0.61850  1.0 1.0
   38    33   -44    41  -0.22750 -1.0 2.0
   38    33   -44    41   0.15300  1.0 3.0
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   88    87    58    62  -0.07550 -1.0 2.0
   88    87    58    62   0.20000  1.0 3.0
   69    60    65    71   0.86500  1.0 1.0
   69    60    65    71  -0.17500 -1.0 2.0
   69    60    65    71   0.20800  1.0 3.0
   69    60    65    75   0.86500  1.0 1.0
   69    60    65    75  -0.17500 -1.0 2.0
   69    60    65    75   0.20800  1.0 3.0
   69    60    65    87   0.86500  1.0 1.0
   69    60    65    87  -0.17500 -1.0 2.0
   69    60    65    87   0.20800  1.0 3.0
   42    40    41    44   2.00000 -1.0 2.0
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
   33    39    38    40   1.10000 -1.0 2.0
   41    42    40    38   1.10000 -1.0 2.0
END
