* LIGAND DATABASE FILE (OPLS2005)
*
001      89    89    162    246     479
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02147    69.28575   -97.89689
    3     1 S   H    _H1_     3     1.02091   104.20177     7.02761
    4     1 S   H    _H2_     4     1.02062    43.81171   109.35757
    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   _C11    36     1.82528    98.06149   -78.13704
   34    33 S   HC   _H4_    37     1.09503   107.58136    35.98496
   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   _C12    38     1.49617   108.12606   -80.01318
   39    33 S   CT   _C10    67     1.53638   112.38674   157.08907
   40    39 S   HC   _H17    68     1.09924   110.05264   161.22620
   41    39 S   HC   _H18    69     1.09967   108.82025    47.48340
   42    38 S   CM   _C13    39     1.34178   129.41114   -63.94588
   43    39 S   CT   _C9_    70     1.53897   116.45970   -75.04413
   44    43 S   HC   _H3_    71     1.09543   110.21014    58.79905
   45    42 S   CM   _C14    40     1.43864   110.99747   178.45212
   46    45 S   HC   _H19    41     1.07742   125.10132  -179.68410
   47    42 S   OH   _O35    65     1.35852   129.85933    -1.00386
   48    47 S   HO   _H31    66     0.97042   111.01185   179.46259
   49    43 S   CT   _C8_    72     1.53445   113.52358   -64.65331
   50    49 S   HC   _H15    73     1.09576   110.06637    65.00727
   51    49 S   HC   _H16    74     1.09643   109.53160  -176.94623
   52    43 S   OH   _O36    88     1.43092   107.48183   174.27454
   53    52 S   HO   _H32    89     0.96851   106.22103  -176.32912
   54    45 S   CM   _C15    42     1.34084   108.74883    -0.10279
   55    54 S   HC   _H20    43     1.07979   125.19710  -179.41183
   56    49 S   CT   _C7_    75     1.53448   112.18845   -56.23576
   57    56 S   HC   _H13    76     1.09596   109.91087   -56.81617
   58    56 S   HC   _H14    77     1.09640   108.96696    60.65408
   59    38 S   CT   _C16    44     1.51621   122.08461   114.35095
   60    59 S   HC   _H5_    45     1.09607   110.16651   -62.30997
   61    56 S   CT   _C6_    78     1.53077   111.09668  -177.98443
   62    61 S   HC   _H11    79     1.09692   109.02756    60.98524
   63    61 S   HC   _H12    80     1.09614   109.72944   -55.65035
   64    59 S   CT   _C17    46     1.52444   113.31619    61.75253
   65    64 S   HC   _H21    47     1.09476   109.02160    54.12950
   66    64 S   HC   _H22    48     1.09541   109.22687   -62.61950
   67    61 S   CT   _C5_    81     1.53082   113.33715  -178.46558
   68    67 S   HC   _H9_    82     1.09669   109.88821    55.96463
   69    67 S   HC   _H10    83     1.09678   108.41343   -60.36312
   70    64 S   CM   _C18    49     1.49942   111.24522   177.20285
   71    70 S   HC   _H23    50     1.08738   116.79797   -90.86941
   72    67 S   CT   _C4_    84     1.52027   113.54486   178.91917
   73    72 S   HC   _H6_    85     1.09435   111.03037    56.82382
   74    72 S   HC   _H7_    86     1.09556   110.03282   176.32518
   75    72 S   HC   _H8_    87     1.09369   111.54701   -64.37780
   76    70 S   CM   _C19    51     1.34118   123.71178    88.22739
   77    76 S   HC   _H24    52     1.08645   119.41914  -179.36050
   78    76 S   CT   _C20    53     1.50142   123.79690    -0.00000
   79    78 S   HC   _H25    54     1.09641   108.32113  -119.98129
   80    78 S   HC   _H26    55     1.09642   110.55431    -3.40479
   81    78 S   CT   _C21    56     1.53167   111.15625   119.35214
   82    81 S   HC   _H27    57     1.09857   109.17278    59.98359
   83    81 S   HC   _H28    58     1.09717   110.06411   -56.56638
   84    81 S   CT   _C22    59     1.52577   112.25876  -179.78239
   85    84 S   HC   _H29    60     1.09673   109.48359    55.16955
   86    84 S   HC   _H30    61     1.09733   108.43356   -61.00741
   87    84 S   CO3  _C23    62     1.53327   116.56995   179.28591
   88    87 S   O2Z  _O34    63     1.26183   116.38818   175.52990
   89    87 S   O2Z  _O33    64     1.26421   114.19367    -5.16490
  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
  16   7   2   1   1  17  12   5   4   9  10   6   8   4   3   1
  11   6   5   2   1   7   3   9   5   4   7   4   9   5   4   7
   4   3   6   5   4   7   3   3   2   1   1   8   4   9   5   4
   8   5   4   5   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    59    39    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    45    54    59    60    64    47    39    40    41    43    44    49    52  
   38    42    59    39    40    41    43  
   36    37  
   37  
    0  
   42    45    46    54    55    59    60    64    65    66    70    47    48    39    40    41    43  
   40    41    43    44    49    50    51    56    52    53    42    59  
   41    43    44    49    52  
   43    44    49    52  
   45    46    54    55    59    60    64    47    48  
   44    49    50    51    56    57    58    61    52    53  
   49    50    51    56    52    53  
   46    54    55    59    60    64    47    48  
   54    55    59    47  
   48    54    59  
    0  
   50    51    56    57    58    61    62    63    67    52    53  
   51    56    57    58    61    52  
   56    57    58    61    52  
   53    56  
    0  
   55    59    60    64    65    66    70  
   59    60    64  
   57    58    61    62    63    67    68    69    72  
   58    61    62    63    67  
   61    62    63    67  
   60    64    65    66    70    71    76  
   64    65    66    70  
   62    63    67    68    69    72    73    74    75  
   63    67    68    69    72  
   67    68    69    72  
   65    66    70    71    76    77    78  
   66    70    71    76  
   70    71    76  
   68    69    72    73    74    75  
   69    72    73    74    75  
   72    73    74    75  
   71    76    77    78    79    80    81  
   76    77    78  
   73    74    75  
   74    75  
   75  
    0  
   77    78    79    80    81    82    83    84  
   78    79    80    81  
   79    80    81    82    83    84    85    86    87  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84    85    86    87    88    89  
   83    84    85    86    87  
   84    85    86    87  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    39   268.000  1.529
   38    42   549.000  1.340
   38    59   317.000  1.510
   42    45   380.000  1.444
   42    47   510.000  1.338
   45    46   340.000  1.080
   45    54   549.000  1.340
   54    55   340.000  1.080
   54    59   317.000  1.510
   59    60   340.000  1.090
   59    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   317.000  1.510
   70    71   340.000  1.080
   70    76   549.000  1.340
   76    77   340.000  1.080
   76    78   317.000  1.510
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   268.000  1.529
   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   317.000  1.522
   87    88   656.000  1.250
   87    89   656.000  1.250
   47    48   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    43   268.000  1.529
   43    44   340.000  1.090
   43    49   268.000  1.529
   43    52   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   52    53   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    39    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    59    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    43    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    45    70.00000  123.01800
   38    42    47    80.00000  121.38400
   38    59    54    70.00000  110.12100
   38    59    60    35.00000  109.50000
   38    59    64    70.00000  112.02700
   42    45    46    35.00000  120.00000
   42    45    54    70.00000  123.01800
   42    47    48    70.00000  107.45700
   45    54    55    35.00000  120.00000
   45    54    59    70.00000  124.00000
   54    45    46    35.00000  120.00000
   54    59    60    35.00000  109.50000
   54    59    64    70.00000  112.02700
   59    38    42    70.00000  124.00000
   59    54    55    35.00000  117.00000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    70    70.00000  112.02700
   64    59    60    37.50000  110.70000
   64    70    71    35.00000  117.00000
   64    70    76    70.00000  124.00000
   66    64    65    33.00000  107.80000
   70    64    65    35.00000  109.50000
   70    64    66    35.00000  109.50000
   70    76    77    35.00000  120.00000
   70    76    78    70.00000  124.00000
   76    70    71    35.00000  120.00000
   76    78    79    35.00000  109.50000
   76    78    80    35.00000  109.50000
   76    78    81    70.00000  112.02700
   78    76    77    35.00000  117.00000
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    84    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    37.50000  110.70000
   81    78    80    37.50000  110.70000
   81    84    85    37.50000  110.70000
   81    84    86    37.50000  110.70000
   81    84    87    70.00000  109.69300
   83    81    82    33.00000  107.80000
   84    81    82    37.50000  110.70000
   84    81    83    37.50000  110.70000
   84    87    88    70.00000  117.00000
   84    87    89    70.00000  117.00000
   86    84    85    33.00000  107.80000
   87    84    85    35.00000  109.50000
   87    84    86    35.00000  109.50000
   89    87    88    80.00000  126.00000
   47    42    45    80.00000  121.38400
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    43    44    37.50000  110.70000
   39    43    49    58.35000  112.70000
   39    43    52    50.00000  109.50000
   41    39    40    33.00000  107.80000
   43    39    40    37.50000  110.70000
   43    39    41    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    56    58.35000  112.70000
   43    52    53    55.00000  108.50000
   49    43    44    37.50000  110.70000
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   49    56    61    58.35000  112.70000
   51    49    50    33.00000  107.80000
   56    49    50    37.50000  110.70000
   56    49    51    37.50000  110.70000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    67    58.35000  112.70000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    67    68    37.50000  110.70000
   61    67    69    37.50000  110.70000
   61    67    72    58.35000  112.70000
   63    61    62    33.00000  107.80000
   67    61    62    37.50000  110.70000
   67    61    63    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    37.50000  110.70000
   69    67    68    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   52    43    44    35.00000  109.50000
   52    43    49    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  -0.62250  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    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
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    59   0.30250  1.0 1.0
   29    33    38    59  -0.14950 -1.0 2.0
   29    33    38    59   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    38    42    45   7.00000 -1.0 2.0
   33    38    42    47   7.00000 -1.0 2.0
   33    38    59    54   0.09700  1.0 1.0
   33    38    59    54   0.15600 -1.0 2.0
   33    38    59    54  -0.50800  1.0 3.0
   33    38    59    60   0.34800  1.0 3.0
   33    38    59    64   0.46850  1.0 1.0
   33    38    59    64   0.08550 -1.0 2.0
   33    38    59    64   0.09800  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    49   0.56750  1.0 1.0
   33    39    43    49  -0.07550 -1.0 2.0
   33    39    43    49   0.20000  1.0 3.0
   33    39    43    52   0.86500  1.0 1.0
   33    39    43    52  -0.17500 -1.0 2.0
   33    39    43    52   0.20800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    59   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    43   0.34400  1.0 1.0
   38    33    39    43   0.09450 -1.0 2.0
   38    33    39    43   0.11100  1.0 3.0
   38    42    45    46  -0.18600  1.0 3.0
   38    42   -45    54   0.28850  1.0 1.0
   38    42   -45    54   2.61350 -1.0 2.0
   38    42   -45    54   0.78400  1.0 3.0
   38    42    47    48  -0.66100  1.0 1.0
   38    42    47    48   1.20850 -1.0 2.0
   38    42    47    48  -0.36000  1.0 3.0
   38    59    64    65   0.15000  1.0 3.0
   38    59    64    66   0.15000  1.0 3.0
   38    59    64    70   0.31000  1.0 1.0
   38    59    64    70   0.14700 -1.0 2.0
   38    59    64    70   0.07550  1.0 3.0
   42    38   -59    54  -0.28300  1.0 1.0
   42    38   -59    54   0.26700 -1.0 2.0
   42    38   -59    54  -0.63300  1.0 3.0
   42    38    59    60   0.00000  1.0 1.0
   42    38    59    64   0.09850  1.0 1.0
   42    38    59    64   0.15250 -1.0 2.0
   42    38    59    64  -0.50650  1.0 3.0
   42    45    54    55   7.00000 -1.0 2.0
   42    45   -54    59   7.00000 -1.0 2.0
   45    42    47    48  -0.66100  1.0 1.0
   45    42    47    48   1.20850 -1.0 2.0
   45    42    47    48  -0.36000  1.0 3.0
   45    54   -59    38  -0.28300  1.0 1.0
   45    54   -59    38   0.26700 -1.0 2.0
   45    54   -59    38  -0.63300  1.0 3.0
   45    54    59    60   0.00000  1.0 1.0
   45    54    59    64   0.09850  1.0 1.0
   45    54    59    64   0.15250 -1.0 2.0
   45    54    59    64  -0.50650  1.0 3.0
   46    45    54    55   7.00000 -1.0 2.0
   46    45    54    59   7.00000 -1.0 2.0
   54    59    64    65   0.15000  1.0 3.0
   54    59    64    66   0.15000  1.0 3.0
   54    59    64    70   0.31000  1.0 1.0
   54    59    64    70   0.14700 -1.0 2.0
   54    59    64    70   0.07550  1.0 3.0
   55    54    59    38   0.00000  1.0 1.0
   55    54    59    60   0.33100  1.0 3.0
   55    54    59    64   0.00000  1.0 1.0
   59    38   -42    45   7.00000 -1.0 2.0
   59    38    42    47   7.00000 -1.0 2.0
   59    64    70    71   0.00000  1.0 1.0
   59    64    70    76   0.09850  1.0 1.0
   59    64    70    76   0.15250 -1.0 2.0
   59    64    70    76  -0.50650  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    70   0.15000  1.0 3.0
   64    70    76    77   7.00000 -1.0 2.0
   64    70    76    78   7.00000 -1.0 2.0
   65    64    70    71   0.33100  1.0 3.0
   65    64    70    76   0.00000  1.0 1.0
   66    64    70    71   0.33100  1.0 3.0
   66    64    70    76   0.00000  1.0 1.0
   70    76    78    79   0.00000  1.0 1.0
   70    76    78    80   0.00000  1.0 1.0
   70    76    78    81   0.09850  1.0 1.0
   70    76    78    81   0.15250 -1.0 2.0
   70    76    78    81  -0.50650  1.0 3.0
   71    70    76    77   7.00000 -1.0 2.0
   71    70    76    78   7.00000 -1.0 2.0
   76    78    81    82   0.15000  1.0 3.0
   76    78    81    83   0.15000  1.0 3.0
   76    78    81    84   0.34400  1.0 1.0
   76    78    81    84   0.09450 -1.0 2.0
   76    78    81    84   0.11100  1.0 3.0
   77    76    78    79   0.33100  1.0 3.0
   77    76    78    80   0.33100  1.0 3.0
   77    76    78    81   0.00000  1.0 1.0
   78    81    84    85   0.15000  1.0 3.0
   78    81    84    86   0.15000  1.0 3.0
   78    81    84    87  -1.63150  1.0 1.0
   78    81    84    87  -0.43550 -1.0 2.0
   78    81    84    87   0.24500  1.0 3.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    83   0.15000  1.0 3.0
   79    78    81    84   0.15000  1.0 3.0
   80    78    81    82   0.15000  1.0 3.0
   80    78    81    83   0.15000  1.0 3.0
   80    78    81    84   0.15000  1.0 3.0
   81    84    87    88   0.41150 -1.0 2.0
   81    84    87    89   0.41150 -1.0 2.0
   82    81    84    85   0.15000  1.0 3.0
   82    81    84    86   0.15000  1.0 3.0
   82    81    84    87  -0.11250  1.0 3.0
   83    81    84    85   0.15000  1.0 3.0
   83    81    84    86   0.15000  1.0 3.0
   83    81    84    87  -0.11250  1.0 3.0
   85    84    87    88   0.00000  1.0 1.0
   85    84    87    89   0.00000  1.0 1.0
   86    84    87    88   0.00000  1.0 1.0
   86    84    87    89   0.00000  1.0 1.0
   47    42    45    46   0.00000  1.0 1.0
   47    42    45    54   0.50950  1.0 1.0
   47    42    45    54   0.56650 -1.0 2.0
   47    42    45    54   0.34050  1.0 3.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33    38    59   0.46850  1.0 1.0
   39    33    38    59   0.08550 -1.0 2.0
   39    33    38    59   0.09800  1.0 3.0
   39    43    49    50   0.15000  1.0 3.0
   39    43    49    51   0.15000  1.0 3.0
   39    43    49    56   0.56750  1.0 1.0
   39    43    49    56  -0.07550 -1.0 2.0
   39    43    49    56   0.20000  1.0 3.0
   39    43    52    53  -0.11600  1.0 1.0
   39    43    52    53  -0.09450 -1.0 2.0
   39    43    52    53   0.21250  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    49   0.15000  1.0 3.0
   40    39    43    52   0.23400  1.0 3.0
   41    39    43    44   0.15000  1.0 3.0
   41    39    43    49   0.15000  1.0 3.0
   41    39    43    52   0.23400  1.0 3.0
   43    49    56    57   0.15000  1.0 3.0
   43    49    56    58   0.15000  1.0 3.0
   43    49    56    61   0.56750  1.0 1.0
   43    49    56    61  -0.07550 -1.0 2.0
   43    49    56    61   0.20000  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    51   0.15000  1.0 3.0
   44    43    49    56   0.15000  1.0 3.0
   44    43    52    53   0.19450  1.0 3.0
   49    43    52    53  -0.11600  1.0 1.0
   49    43    52    53  -0.09450 -1.0 2.0
   49    43    52    53   0.21250  1.0 3.0
   49    56    61    62   0.15000  1.0 3.0
   49    56    61    63   0.15000  1.0 3.0
   49    56    61    67   0.56750  1.0 1.0
   49    56    61    67  -0.07550 -1.0 2.0
   49    56    61    67   0.20000  1.0 3.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    58   0.15000  1.0 3.0
   50    49    56    61   0.15000  1.0 3.0
   51    49    56    57   0.15000  1.0 3.0
   51    49    56    58   0.15000  1.0 3.0
   51    49    56    61   0.15000  1.0 3.0
   56    61    67    68   0.15000  1.0 3.0
   56    61    67    69   0.15000  1.0 3.0
   56    61    67    72   0.56750  1.0 1.0
   56    61    67    72  -0.07550 -1.0 2.0
   56    61    67    72   0.20000  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    67   0.15000  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    63   0.15000  1.0 3.0
   58    56    61    67   0.15000  1.0 3.0
   61    67    72    73   0.15000  1.0 3.0
   61    67    72    74   0.15000  1.0 3.0
   61    67    72    75   0.15000  1.0 3.0
   62    61    67    68   0.15000  1.0 3.0
   62    61    67    69   0.15000  1.0 3.0
   62    61    67    72   0.15000  1.0 3.0
   63    61    67    68   0.15000  1.0 3.0
   63    61    67    69   0.15000  1.0 3.0
   63    61    67    72   0.15000  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    75   0.15000  1.0 3.0
   69    67    72    73   0.15000  1.0 3.0
   69    67    72    74   0.15000  1.0 3.0
   69    67    72    75   0.15000  1.0 3.0
   52    43    49    50   0.23400  1.0 3.0
   52    43    49    51   0.23400  1.0 3.0
   52    43    49    56   0.86500  1.0 1.0
   52    43    49    56  -0.17500 -1.0 2.0
   52    43    49    56   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
   33    59    38    42   1.10000 -1.0 2.0
   45    47    42    38   1.10000 -1.0 2.0
   42    46    45    54   1.10000 -1.0 2.0
   59    55    54    45   1.10000 -1.0 2.0
   64    71    70    76  15.00000 -1.0 2.0
   78    77    76    70  15.00000 -1.0 2.0
   88    84    87    89  10.50000 -1.0 2.0
END
