* LIGAND DATABASE FILE (OPLS2005)
*
001      91    95    169    279     494
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    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     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   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     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   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   _C17    36     1.80585    98.13950   161.76202
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   C5B  _C10    37     1.49197   111.52552   -59.98632
   38    33 S   CM   _C18    70     1.51639   112.28215   169.72291
   39    37 S   C5A  _C9_    38     1.47530   123.66562   -39.05541
   40    39 S   HA   _H16    39     1.09603   123.09628     0.05234
   41    38 S   C5B  _C21    71     1.43775   122.23573    65.82307
   42    38 S   CMA  _C19    86     1.34795   111.69526  -114.89792
   43    42 S   OM   _O34    87     1.25440   137.27686  -179.82306
   44    39 S   NA   _N5_    40     1.28762   112.49085   180.00000
   45    41 S   C5A  _C22    72     1.35076   125.37460   -90.85218
   46    45 S   HA   _H22    73     1.08031   126.60650    -0.00000
   47    42 S   N    _N6_    88     1.36869   108.39177    -0.16313
   48    47 S   H    _H21    89     1.01376   123.50459   179.80416
   49    44 S   C56A _C12    41     1.40004   103.86711     0.01978
   50    44 S   CT   _C8_    51     1.45513   131.75161  -179.96574
   51    50 S   HC   _H14    52     1.09412   107.88582   -30.00996
   52    50 S   HC   _H15    53     1.09414   108.65652  -147.48637
   53    45 S   NA   _N7_    74     1.41098   113.03848  -179.97202
   54    53 S   H    _H23    75     1.01715   123.89132   180.00000
   55    33 S   C    _C20    90     1.52904   108.69166    59.68122
   56    55 S   O    _O33    91     1.22200   126.66665   -62.64354
   57    49 S   CA   _C13    42     1.44562   126.66737  -179.97202
   58    57 S   HA   _H17    43     1.08304   120.75830     0.00000
   59    50 S   CT   _C7_    54     1.52189   109.47699    90.31235
   60    59 S   HC   _H12    55     1.09606   109.63386    59.17564
   61    59 S   HC   _H13    56     1.09747   108.70058   -57.57994
   62    53 S   C56A _C23    76     1.28605   107.76841    -0.00000
   63    57 S   CA   _C14    44     1.34829   118.24458   179.93744
   64    63 S   HA   _H18    45     1.08401   121.21077   179.94405
   65    59 S   CT   _C6_    57     1.52270   112.01365  -178.72007
   66    65 S   HC   _H10    58     1.09367   112.32596   -59.99245
   67    65 S   HC   _H11    59     1.09425   111.99470    63.96594
   68    62 S   CA   _C24    77     1.46836   129.06387   179.97202
   69    68 S   HA   _H24    78     1.08259   120.44474     0.03956
   70    63 S   CA   _C15    46     1.45998   120.65132     0.04423
   71    70 S   HA   _H19    47     1.08364   118.10705   179.93744
   72    65 S   NP   _N4_    60     1.48395   109.05537  -178.06407
   73    72 S   H    _H6_    61     1.03430   107.76967    61.53300
   74    68 S   CA   _C25    79     1.34283   116.92870  -179.98022
   75    74 S   HA   _H25    80     1.08400   120.97580  -180.00000
   76    70 S   CA   _C16    48     1.34791   120.62390    -0.01978
   77    76 S   HA   _H20    49     1.08325   121.19501  -180.00000
   78    72 S   CT   _C4_    62     1.50858   112.63483   178.20485
   79    78 S   HC   _H3_    63     1.09178   107.88863    62.29808
   80    78 S   HC   _H4_    64     1.09229   107.79896  -177.70407
   81    78 S   HC   _H5_    65     1.09158   107.79700   -57.76246
   82    72 S   CT   _C5_    66     1.50919   112.60610   -55.10001
   83    82 S   HC   _H7_    67     1.09199   107.83737   -62.30456
   84    82 S   HC   _H8_    68     1.09196   107.83766    57.67215
   85    82 S   HC   _H9_    69     1.09194   107.82643   177.69310
   86    74 S   CA   _C26    81     1.45144   121.10806     0.00000
   87    86 S   HA   _H26    82     1.08322   118.69584   179.95154
   88    37 S   C56B _C11    50     1.34576   133.05990   140.94263
   89    86 S   CA   _C27    83     1.44816   122.52656     0.01978
   90    89 S   HA   _H27    84     1.08296   119.12327  -179.97202
   91    41 S   C56B _C28    85     1.44701   130.10366    89.14633
  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
  17   2   1   1  16  15  11   4  14   7   3  13   7   4   3   2
  12  11   5   4   7   3   2   1   7   4   9   5   4   8   6   3
  12   5   4   7   4   4   3   9   8   6   3   2   1   7   3   2
   1   3   2   1   1   4   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    55    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    88    38    41    42    47    55    56  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    40    44    49    76    88    38    41    45    91    42    43    47    48    55    56  
   35    36  
   36  
    0  
   39    40    44    49    57    70    76    77    88    50    38    41    42    47    55    56  
   41    45    46    53    62    89    91    42    43    47    48    55    56    39    88  
   40    44    49    57    76    88    50    51    52    59    55  
   44    49    88    50  
   45    46    53    54    62    68    86    89    90    91    42    43    47    55  
   43    47    48    55    56    45    91  
   47    48    55  
   49    57    58    63    76    88    50    51    52    59    60    61    65  
   46    53    54    62    68    89    91  
   53    54    62    91  
   48    55    56  
   55    56  
   57    58    63    64    70    76    77    88    50    51    52    59  
   51    52    59    60    61    65    66    67    72    57    88  
   52    59    60    61    65  
   59    60    61    65  
   54    62    68    69    74    89    91  
   62    68    91  
   56    88  
    0  
   58    63    64    70    71    76    88  
   63    64    70    88  
   60    61    65    66    67    72    73    78    82  
   61    65    66    67    72  
   65    66    67    72  
   68    69    74    75    86    89    90    91  
   64    70    71    76    77    88  
   70    71    76  
   66    67    72    73    78    79    80    81    82    83    84    85  
   67    72    73    78    82  
   72    73    78    82  
   69    74    75    86    87    89    91  
   74    75    86    91  
   71    76    77    88  
   76    77    88  
   73    78    79    80    81    82    83    84    85  
   78    79    80    81    82    83    84    85  
   75    86    87    89    90    91  
   86    87    89  
   77    88  
   88  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    0  
   87    89    90    91  
   89    90    91  
    0  
   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   0.223400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   40   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   41   3.5500   0.0700  -0.119000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.2500   0.1700  -0.243400   1.8650   1.6500   0.001000000  -0.511443539
   45   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   47   3.2500   0.1700  -0.822500   1.8100   1.6000   0.054801302  -1.445846770
   48   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   54   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   55   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   57   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   72   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   73   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   78   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   86   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   88   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   89   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   91   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   295.000  1.494
   33    38   317.000  1.510
   33    55   317.000  1.522
   37    39   520.000  1.370
   37    88   380.000  1.440
   39    40   367.000  1.080
   39    44   427.000  1.381
   44    49   428.000  1.380
   44    50   320.000  1.443
   49    57   469.000  1.400
   49    88   447.000  1.419
   57    58   367.000  1.080
   57    63   469.000  1.400
   63    64   367.000  1.080
   63    70   469.000  1.400
   70    71   367.000  1.080
   70    76   469.000  1.400
   76    77   367.000  1.080
   76    88   469.000  1.404
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    72   367.000  1.471
   72    73   434.000  1.010
   72    78   367.000  1.471
   72    82   367.000  1.471
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   38    41   320.000  1.460
   38    42   465.000  1.376
   41    45   520.000  1.370
   41    91   380.000  1.440
   45    46   367.000  1.080
   45    53   427.000  1.381
   53    54   434.000  1.010
   53    62   428.000  1.380
   62    68   469.000  1.400
   62    91   447.000  1.419
   68    69   367.000  1.080
   68    74   469.000  1.400
   74    75   367.000  1.080
   74    86   469.000  1.400
   86    87   367.000  1.080
   86    89   469.000  1.400
   89    90   367.000  1.080
   89    91   469.000  1.404
   42    43   745.000  1.250
   42    47   400.000  1.384
   47    48   434.000  1.010
   47    55   490.000  1.335
   55    56   570.000  1.229
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    80.00000  109.48900
   29    33    38    75.00000  112.20000
   29    33    55    70.00000  112.33000
   33    37    39    55.00000  127.77900
   33    37    88    55.00000  128.73000
   33    38    41    60.00000  124.00000
   33    38    42    70.00000  124.00000
   33    55    47    70.00000  116.60000
   33    55    56    80.00000  120.40000
   37    39    40    35.00000  130.70000
   37    39    44    70.00000  106.30000
   37    88    49    80.00000  107.43600
   37    88    76    50.00000  134.85500
   39    44    49    90.00000  107.14200
   39    44    50    65.00000  127.50000
   44    39    40    35.00000  121.60000
   44    49    57    70.00000  132.80000
   44    49    88    70.00000  104.40000
   44    50    51    50.00000  108.61900
   44    50    52    50.00000  108.61900
   44    50    59    75.00000  111.19500
   49    57    58    35.00000  120.00000
   49    57    63    85.00000  120.00000
   49    88    76    85.00000  116.20000
   57    63    64    35.00000  120.00000
   57    63    70    63.00000  120.00000
   63    57    58    35.00000  120.00000
   63    70    71    35.00000  120.00000
   63    70    76    63.00000  120.00000
   70    63    64    35.00000  120.00000
   70    76    77    35.00000  120.00000
   70    76    88    63.00000  120.00000
   76    70    71    35.00000  120.00000
   88    37    39    80.00000  105.82900
   88    49    57    85.00000  122.70000
   88    76    77    35.00000  120.00000
   50    44    49    65.00000  128.16600
   50    59    60    37.50000  110.70000
   50    59    61    37.50000  110.70000
   50    59    65    58.35000  112.70000
   52    50    51    33.00000  107.80000
   59    50    51    37.50000  110.70000
   59    50    52    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    67    37.50000  110.70000
   59    65    72    80.00000  111.20000
   61    59    60    33.00000  107.80000
   65    59    60    37.50000  110.70000
   65    59    61    37.50000  110.70000
   65    72    73    35.00000  109.50000
   65    72    78    75.00000  113.01200
   65    72    82    75.00000  113.01200
   67    65    66    33.00000  107.80000
   72    65    66    35.00000  109.50000
   72    65    67    35.00000  109.50000
   72    78    79    35.00000  109.50000
   72    78    80    35.00000  109.50000
   72    78    81    35.00000  109.50000
   72    82    83    35.00000  109.50000
   72    82    84    35.00000  109.50000
   72    82    85    35.00000  109.50000
   78    72    73    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    72    73    35.00000  109.50000
   82    72    78    75.00000  113.01200
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   38    33    37    70.00000  112.36000
   38    41    45    60.00000  118.70000
   38    41    91    60.00000  118.70000
   38    42    43    65.00000  137.10300
   38    42    47    75.00000  120.83300
   41    45    46    35.00000  130.70000
   41    45    53    70.00000  106.30000
   41    91    62    80.00000  107.43600
   41    91    89    50.00000  134.85500
   45    53    54    35.00000  120.00000
   45    53    62    90.00000  107.14200
   53    45    46    35.00000  121.60000
   53    62    68    70.00000  132.80000
   53    62    91    70.00000  104.40000
   62    53    54    35.00000  123.10000
   62    68    69    35.00000  120.00000
   62    68    74    85.00000  120.00000
   62    91    89    85.00000  116.20000
   68    74    75    35.00000  120.00000
   68    74    86    63.00000  120.00000
   74    68    69    35.00000  120.00000
   74    86    87    35.00000  120.00000
   74    86    89    63.00000  120.00000
   86    74    75    35.00000  120.00000
   86    89    90    35.00000  120.00000
   86    89    91    63.00000  120.00000
   89    86    87    35.00000  120.00000
   91    41    45    80.00000  105.82900
   91    62    68    85.00000  122.70000
   91    89    90    35.00000  120.00000
   42    38    41    60.00000  123.66000
   42    47    48    45.00000  117.55000
   42    47    55    70.00000  120.89900
   47    42    43   110.00000  107.01400
   47    55    56    80.00000  122.90000
   55    33    37    70.00000  109.44300
   55    33    38    70.00000  115.00700
   55    47    48    35.00000  119.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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    37    39  -0.16000  1.0 1.0
   29    33    37    39  -0.03200 -1.0 2.0
   29    33    37    39   0.04500  1.0 3.0
   29    33    37    88  -0.16000  1.0 1.0
   29    33    37    88  -0.03200 -1.0 2.0
   29    33    37    88   0.04500  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  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    55    47   0.00000  1.0 1.0
   29    33    55    56   0.30150 -1.0 2.0
   33    37    39    40   3.62500 -1.0 2.0
   33    37    39    44   3.62500 -1.0 2.0
   33    37    88    49   3.62500 -1.0 2.0
   33    37    88    76   3.62500 -1.0 2.0
   33    38    41    45  -0.02500  1.0 1.0
   33    38    41    45  -0.32150 -1.0 2.0
   33    38    41    45  -0.01500  1.0 3.0
   33    38    41    91  -0.02500  1.0 1.0
   33    38    41    91  -0.32150 -1.0 2.0
   33    38    41    91  -0.01500  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38   -42    47   7.00000 -1.0 2.0
   37    33    38    41   0.09700  1.0 1.0
   37    33    38    41   0.15600 -1.0 2.0
   37    33    38    41  -0.50800  1.0 3.0
   37    33    38    42   1.44450  1.0 1.0
   37    33    38    42   0.06600 -1.0 2.0
   37    33    38    42   0.29250  1.0 3.0
   37    33    55    47   0.00000  1.0 1.0
   37    33    55    56   0.30150 -1.0 2.0
   37    39   -44    49   3.62500 -1.0 2.0
   37    39    44    50   3.62500 -1.0 2.0
   39    37   -88    49   3.50000 -1.0 2.0
   39    37    88    76   3.62500 -1.0 2.0
   39    44    49    57   3.62500 -1.0 2.0
   39    44   -49    88   3.62500 -1.0 2.0
   39    44    50    51   0.00000  1.0 1.0
   39    44    50    52   0.00000  1.0 1.0
   39    44    50    59   1.10250  1.0 1.0
   39    44    50    59   0.01650 -1.0 2.0
   39    44    50    59   0.39100  1.0 3.0
   40    39    44    49   3.62500 -1.0 2.0
   40    39    44    50   3.62500 -1.0 2.0
   44    49    57    58   3.62500 -1.0 2.0
   44    49    57    63   3.62500 -1.0 2.0
   44    49   -88    37   3.00000 -1.0 2.0
   44    49    88    76   3.00000 -1.0 2.0
   44    50    59    60   0.15000  1.0 3.0
   44    50    59    61   0.15000  1.0 3.0
   44    50    59    65  -0.64600  1.0 1.0
   44    50    59    65   0.58400 -1.0 2.0
   49    44    50    51   0.00000  1.0 1.0
   49    44    50    52   0.00000  1.0 1.0
   49    44    50    59   1.10250  1.0 1.0
   49    44    50    59   0.01650 -1.0 2.0
   49    44    50    59   0.39100  1.0 3.0
   49    57    63    64   3.62500 -1.0 2.0
   49    57    63    70   3.62500 -1.0 2.0
   57    49    88    37   3.00000 -1.0 2.0
   57    49    88    76   3.00000 -1.0 2.0
   57    63    70    71   3.62500 -1.0 2.0
   57    63   -70    76   3.62500 -1.0 2.0
   58    57    63    64   3.62500 -1.0 2.0
   58    57    63    70   3.62500 -1.0 2.0
   63    70    76    77   3.62500 -1.0 2.0
   63    70    76    88   3.62500 -1.0 2.0
   64    63    70    71   3.62500 -1.0 2.0
   64    63    70    76   3.62500 -1.0 2.0
   70    76    88    37   3.62500 -1.0 2.0
   70    76   -88    49   3.50000 -1.0 2.0
   71    70    76    77   3.62500 -1.0 2.0
   71    70    76    88   3.62500 -1.0 2.0
   77    76    88    37   3.62500 -1.0 2.0
   77    76    88    49   3.50000 -1.0 2.0
   88    37    39    40   3.62500 -1.0 2.0
   88    37   -39    44   3.62500 -1.0 2.0
   88    49    57    58   3.62500 -1.0 2.0
   88    49   -57    63   3.62500 -1.0 2.0
   50    44    49    57   3.62500 -1.0 2.0
   50    44    49    88   3.62500 -1.0 2.0
   50    59    65    66   0.15000  1.0 3.0
   50    59    65    67   0.15000  1.0 3.0
   50    59    65    72   1.36600  1.0 1.0
   50    59    65    72  -0.11450 -1.0 2.0
   50    59    65    72   0.24250  1.0 3.0
   51    50    59    60   0.15000  1.0 3.0
   51    50    59    61   0.15000  1.0 3.0
   51    50    59    65   0.15000  1.0 3.0
   52    50    59    60   0.15000  1.0 3.0
   52    50    59    61   0.15000  1.0 3.0
   52    50    59    65   0.15000  1.0 3.0
   59    65    72    73   0.17350  1.0 3.0
   59    65    72    78   0.47100  1.0 1.0
   59    65    72    82   0.47100  1.0 1.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    72   0.19200  1.0 3.0
   61    59    65    66   0.15000  1.0 3.0
   61    59    65    67   0.15000  1.0 3.0
   61    59    65    72   0.19200  1.0 3.0
   65    72    78    79   0.15000  1.0 3.0
   65    72    78    80   0.15000  1.0 3.0
   65    72    78    81   0.15000  1.0 3.0
   65    72    82    83   0.15000  1.0 3.0
   65    72    82    84   0.15000  1.0 3.0
   65    72    82    85   0.15000  1.0 3.0
   66    65    72    73   0.13050  1.0 3.0
   66    65    72    78   0.15000  1.0 3.0
   66    65    72    82   0.15000  1.0 3.0
   67    65    72    73   0.13050  1.0 3.0
   67    65    72    78   0.15000  1.0 3.0
   67    65    72    82   0.15000  1.0 3.0
   73    72    78    79   0.13050  1.0 3.0
   73    72    78    80   0.13050  1.0 3.0
   73    72    78    81   0.13050  1.0 3.0
   73    72    82    83   0.13050  1.0 3.0
   73    72    82    84   0.13050  1.0 3.0
   73    72    82    85   0.13050  1.0 3.0
   78    72    82    83   0.15000  1.0 3.0
   78    72    82    84   0.15000  1.0 3.0
   78    72    82    85   0.15000  1.0 3.0
   82    72    78    79   0.15000  1.0 3.0
   82    72    78    80   0.15000  1.0 3.0
   82    72    78    81   0.15000  1.0 3.0
   38    33    37    39   0.18050 -1.0 2.0
   38    33    37    88   0.18050 -1.0 2.0
   38    33   -55    47   0.00000  1.0 1.0
   38    33    55    56   0.30150 -1.0 2.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    53   3.62500 -1.0 2.0
   38    41    91    62   3.62500 -1.0 2.0
   38    41    91    89   3.62500 -1.0 2.0
   38    42    47    48   0.78350 -1.0 2.0
   38    42   -47    55  -0.18900  1.0 1.0
   38    42   -47    55   1.70900 -1.0 2.0
   41    38    42    43   7.00000 -1.0 2.0
   41    38    42    47   7.00000 -1.0 2.0
   41    45    53    54   1.40000 -1.0 2.0
   41    45   -53    62   3.62500 -1.0 2.0
   45    41   -91    62   3.50000 -1.0 2.0
   45    41    91    89   3.62500 -1.0 2.0
   45    53    62    68   3.62500 -1.0 2.0
   45    53   -62    91   3.62500 -1.0 2.0
   46    45    53    54   2.00000 -1.0 2.0
   46    45    53    62   3.62500 -1.0 2.0
   53    62    68    69   3.62500 -1.0 2.0
   53    62    68    74   3.62500 -1.0 2.0
   53    62   -91    41   3.00000 -1.0 2.0
   53    62    91    89   3.00000 -1.0 2.0
   54    53    62    68   1.52500 -1.0 2.0
   54    53    62    91   1.52500 -1.0 2.0
   62    68    74    75   3.62500 -1.0 2.0
   62    68    74    86   3.62500 -1.0 2.0
   68    62    91    41   3.00000 -1.0 2.0
   68    62    91    89   3.00000 -1.0 2.0
   68    74    86    87   3.62500 -1.0 2.0
   68    74   -86    89   3.62500 -1.0 2.0
   69    68    74    75   3.62500 -1.0 2.0
   69    68    74    86   3.62500 -1.0 2.0
   74    86    89    90   3.62500 -1.0 2.0
   74    86    89    91   3.62500 -1.0 2.0
   75    74    86    87   3.62500 -1.0 2.0
   75    74    86    89   3.62500 -1.0 2.0
   86    89    91    41   3.62500 -1.0 2.0
   86    89   -91    62   3.50000 -1.0 2.0
   87    86    89    90   3.62500 -1.0 2.0
   87    86    89    91   3.62500 -1.0 2.0
   90    89    91    41   3.62500 -1.0 2.0
   90    89    91    62   3.50000 -1.0 2.0
   91    41    45    46   3.62500 -1.0 2.0
   91    41   -45    53   3.62500 -1.0 2.0
   91    62    68    69   3.62500 -1.0 2.0
   91    62   -68    74   3.62500 -1.0 2.0
   42    38    41    45   0.15800  1.0 1.0
   42    38    41    45   1.85350 -1.0 2.0
   42    38    41    45  -0.48700  1.0 3.0
   42    38    41    91   0.15800  1.0 1.0
   42    38    41    91   1.85350 -1.0 2.0
   42    38    41    91  -0.48700  1.0 3.0
   42    47   -55    33   0.67100  1.0 1.0
   42    47   -55    33   1.42150 -1.0 2.0
   42    47   -55    33   0.18700  1.0 3.0
   42    47    55    56   2.67200 -1.0 2.0
   43    42    47    48   1.00000 -1.0 2.0
   43    42    47    55  -0.56400  1.0 1.0
   43    42    47    55   0.77500 -1.0 2.0
   43    42    47    55   0.18700  1.0 3.0
   48    47    55    33   2.45000 -1.0 2.0
   48    47    55    56   2.45000 -1.0 2.0
   55    33    37    39   0.04300 -1.0 2.0
   55    33    37    88   0.04300 -1.0 2.0
   55    33    38    41   0.09700  1.0 1.0
   55    33    38    41   0.15600 -1.0 2.0
   55    33    38    41  -0.50800  1.0 3.0
   55    33   -38    42  -0.51250  1.0 1.0
   55    33   -38    42  -0.88800 -1.0 2.0
   55    33   -38    42   0.08850  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   39    88    37    33   4.00000 -1.0 2.0
   44    40    39    37   1.10000 -1.0 2.0
   49    50    44    39   4.00000 -1.0 2.0
   57    88    49    44   4.00000 -1.0 2.0
   63    58    57    49   1.10000 -1.0 2.0
   70    64    63    57   1.10000 -1.0 2.0
   76    71    70    63   1.10000 -1.0 2.0
   88    77    76    70   1.10000 -1.0 2.0
   49    76    88    37   4.00000 -1.0 2.0
   33    41    38    42   1.10000 -1.0 2.0
   45    91    41    38   4.00000 -1.0 2.0
   53    46    45    41   1.10000 -1.0 2.0
   54    45    53    62   1.00000 -1.0 2.0
   68    91    62    53   4.00000 -1.0 2.0
   74    69    68    62   1.10000 -1.0 2.0
   86    75    74    68   1.10000 -1.0 2.0
   89    87    86    74   1.10000 -1.0 2.0
   91    90    89    86   1.10000 -1.0 2.0
   62    89    91    41   4.00000 -1.0 2.0
   47    43    42    38   1.10000 -1.0 2.0
   48    55    47    42   1.00000 -1.0 2.0
   33    47    55    56  10.50000 -1.0 2.0
END
