* LIGAND DATABASE FILE (OPLS2005)
*
001      89    92    166    273     499
    1     0 S   NP   _N1_     1    30.70556    92.88706   -16.76855
    2     1 S   H    _HN1     2     1.02792   102.94833    -7.03960
    3     1 S   H    _H1_     3     1.03216   136.90359   127.13099
    4     1 S   H    _H2_     4     1.02792    32.74050    96.14093
    5     1 S   CT   _CA1     5     1.50306    84.35510  -118.37028
    6     5 S   HC   _HA1     6     1.09551   105.46476    44.32977
    7     5 S   CO3  _C1_     7     1.53830   112.37708   -76.24384
    8     7 S   O2Z  _O11     8     1.26389   115.24645   -49.10007
    9     7 S   O2Z  _O12     9     1.26255   114.84472   130.21001
   10     5 S   CT   _CB1    10     1.52748   106.81495   162.21980
   11    10 S   HC   HB11    11     1.09865   109.58783   -52.22743
   12    10 S   HC   HB12    12     1.09512   109.49583    63.36578
   13    10 S   CT   _CG1    13     1.53054   114.12116  -174.03491
   14    13 S   HC   HG11    14     1.09531   111.65199   -57.26857
   15    13 S   HC   HG12    15     1.09530   110.83285    62.77725
   16    13 S   C    _CD1    16     1.51533   108.86627  -177.45501
   17    16 S   O    _OE1    17     1.22753   122.00073  -101.47907
   18    16 S   N    _N2_    18     1.38501   112.35766    75.69015
   19    18 S   H    _HN2    19     1.01590   118.94641     8.14825
   20    18 S   CT1  _CA2    20     1.46118   123.60402  -168.80558
   21    20 S   HC   _HA2    21     1.09718   109.53997    -4.80734
   22    20 S   C    _C2_    22     1.53236   108.75777  -121.16681
   23    22 S   O    _O2_    23     1.23035   122.17305  -143.46041
   24    20 S   CT   _CB2    32     1.53824   110.62338   116.79562
   25    24 S   HC   HB21    33     1.09232   108.75228    58.28068
   26    24 S   HC   HB22    34     1.09321   109.96352   176.55747
   27    22 S   N    _N3_    24     1.38468   113.43977    43.85964
   28    27 S   H    _HN3    25     1.01520   119.02637    -0.39762
   29    24 S   S    _SG2    35     1.83167   111.09672   -63.36175
   30    27 S   CT   _CA3    26     1.45421   123.11028   175.21369
   31    30 S   HC   HA31    27     1.09549   108.81792    31.73845
   32    30 S   HC   HA32    28     1.09485   107.21379   148.68012
   33    29 S   CT   _C20    36     1.87157   103.16380   166.06075
   34    33 S   OM   _O38    37     1.32189   106.20065  -178.32299
   35    30 S   CO3  _C3_    29     1.52965   113.47357   -91.43046
   36    35 S   O2Z  _O31    30     1.26374   115.58599   -40.57561
   37    35 S   O2Z  _O32    31     1.26387   114.86102   140.36314
   38    33 S   CT   _C21    38     1.55850   111.45475   -59.49480
   39    38 S   HC   _H5_    39     1.09746   107.89523    65.10344
   40    33 S   CT   _C19    71     1.58749   110.74628    63.15203
   41    40 S   HC   _H4_    72     1.09631   106.80819   -57.13142
   42    38 S   CO4  _C22    40     1.52812   109.44917   177.24565
   43    42 S   O    _O36    41     1.23034   122.70304   124.08754
   44    40 S   NP   _N5_    73     1.55206   109.43354    55.82976
   45    44 S   H    _H17    74     1.03029   102.44382   -19.22194
   46    38 S   C    _C23    85     1.53860   116.89197   -54.03191
   47    46 S   O    _O37    86     1.22837   124.88431   -43.61421
   48    42 S   CT   _C16    42     1.53000   115.14083   -59.19805
   49    44 S   CT   _C24    75     1.50652   118.39079    93.85652
   50    49 S   HC   _H18    76     1.09019   109.66196    77.76173
   51    49 S   HC   _H19    77     1.09404   107.43466  -163.04763
   52    49 S   HC   _H20    78     1.08995   109.83547   -44.38447
   53    44 S   CT   _C25    79     1.50487   114.20805  -131.35611
   54    53 S   HC   _H21    80     1.08934   109.26766   -71.01336
   55    53 S   HC   _H22    81     1.09190   108.61393    50.23995
   56    53 S   HC   _H23    82     1.09350   107.92878   168.79047
   57    46 S   N    _N4_    87     1.37915   113.05745   138.05045
   58    57 S   H    _H15    88     1.01376   123.26346     0.98318
   59    57 S   H    _H16    89     1.01764   120.19365  -178.82513
   60    48 S   CO4  _C15    43     1.52436   111.38215   -69.96183
   61    60 S   O    _O35    44     1.23053   120.23197   -35.23220
   62    48 S   OH   _O39    83     1.42661   107.94465   175.56451
   63    62 S   HO   _H24    84     0.97413   107.77556    52.03962
   64    60 S   CA   _C7_    45     1.49631   119.83537   146.53702
   65    64 S   CA   _C6_    46     1.39526   119.46517     7.88058
   66    65 S   CA   _C5_    47     1.42420   119.30170   174.80209
   67    65 S   CT   _C18    66     1.51417   119.73091    -3.15356
   68    67 S   HC   _H13    67     1.09795   107.75081    91.38171
   69    67 S   HC   _H14    68     1.08918   110.31486  -153.13859
   70    66 S   CA   _C10    48     1.44991   121.61564    11.17787
   71    66 S   CT   _C4_    62     1.51718   117.37984  -166.56568
   72    71 S   HC   _H6_    63     1.09322   110.85341   -96.67949
   73    71 S   HC   _H7_    64     1.09456   112.25553    24.58435
   74    71 S   HC   _H8_    65     1.09385   110.81117   139.16338
   75    48 S   CT   _C17    69     1.53798   110.54085    56.65983
   76    75 S   HC   _H3_    70     1.09878   107.38116    68.93970
   77    70 S   CA   _C9_    49     1.42890   117.20280   -11.25914
   78    77 S   CA   _C14    50     1.42949   118.64326  -175.31843
   79    64 S   CA   _C8_    59     1.40515   121.19397  -173.09022
   80    78 S   CA   _C13    51     1.39067   122.97915    -1.91551
   81    80 S   HA   _H10    52     1.08599   121.42685  -179.79064
   82    78 S   OH   _O33    57     1.37593   120.42264   178.17490
   83    82 S   HO   _H11    58     0.97175   109.65664   179.27584
   84    79 S   OH   _O34    60     1.37785   119.94391     0.36850
   85    84 S   HO   _H12    61     0.97194   110.32993    -5.69505
   86    80 S   CA   _C12    53     1.37671   119.04893    -1.55469
   87    86 S   HA   _H9_    54     1.08776   118.82244  -177.10132
   88    70 S   CA   _C11    55     1.44339   126.60090   168.50510
   89    88 S   Cl   Cl1_    56     1.74012   124.12491    -9.98312
  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
  18   8   2   1   1  15   7  22   8  13   5  13   9   5   3  12
   8   3   2   1   4   2   1   1   2   1   1  12   5   5   1  13
  15  15   7   3   2  14   5   2   1   1   1   1  11   9   5   7
   4   2   1   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    75    40    41    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48    67    75    76    40    41    44    45    49    53    46    47    57  
   38    39    42    75    40    41    44    46  
   36    37  
   37  
    0  
   39    42    43    48    60    75    40    41    44    62    46    47    57    58    59  
   42    43    48    40    46    47    57  
   41    44    45    49    50    51    52    53    54    55    56    62    46    42    48    60    65    67    68    69    75    76  
   44    45    49    53    48    67    75    76  
   43    48    60    61    64    67    75    76    62    63    46    47    57  
   48    60    75    62    46  
   45    49    50    51    52    53    54    55    56    48    67    75    76  
   49    50    51    52    53    54    55    56    75  
   47    57    58    59    48  
   57    58    59  
   60    61    64    65    79    67    68    69    75    76    62    63  
   50    51    52    53    54    55    56    75  
   51    52    53  
   52    53  
   53  
   54    55    56    75  
   55    56  
   56  
    0  
   58    59  
   59  
    0  
   61    64    65    66    77    79    84    67    75    76    62    63  
   64    65    79    75    62  
   63    64    67    75    76  
   75  
   65    66    70    77    78    79    84    85    71    67    68    69    75  
   66    70    77    88    79    84    71    72    73    74    67    68    69    75    76  
   70    77    78    86    88    89    79    71    72    73    74    67    68    69    75  
   68    69    75    76    70    71    79  
   69    75    76  
   75    76  
   77    78    80    86    87    88    89    82    79    84    71    72    73    74  
   72    73    74    77    88  
   73    74  
   74  
    0  
   76  
    0  
   78    80    81    86    88    89    82    83    79    84    85  
   80    81    86    87    88    82    83    79    84  
   84    85    80    82    88  
   81    86    87    88    89    82    83  
   86    87    88    82  
   83    86  
    0  
   85  
    0  
   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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   45   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   48   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   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   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   58   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   59   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   88   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   89   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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   570.000  1.307
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    46   317.000  1.522
   42    43   570.000  1.229
   42    48   317.000  1.522
   48    60   317.000  1.522
   48    75   268.000  1.529
   48    62   320.000  1.410
   60    61   570.000  1.229
   60    64   310.000  1.470
   64    65   469.000  1.400
   64    79   469.000  1.400
   65    66   469.000  1.400
   65    67   317.000  1.510
   66    70   469.000  1.400
   66    71   317.000  1.510
   70    77   469.000  1.400
   70    88   469.000  1.400
   77    78   469.000  1.400
   77    79   469.000  1.400
   78    80   469.000  1.400
   78    82   450.000  1.364
   80    81   367.000  1.080
   80    86   469.000  1.400
   86    87   367.000  1.080
   86    88   469.000  1.400
   88    89   300.000  1.725
   82    83   553.000  0.945
   79    84   450.000  1.364
   84    85   553.000  0.945
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    75   268.000  1.529
   75    76   340.000  1.090
   75    40   268.000  1.529
   40    41   340.000  1.090
   40    44   367.000  1.471
   44    45   434.000  1.010
   44    49   367.000  1.471
   44    53   367.000  1.471
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   62    63   553.000  0.945
   46    47   570.000  1.229
   46    57   490.000  1.335
   57    58   434.000  1.010
   57    59   434.000  1.010
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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    46    63.00000  111.10000
   33    40    75    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    80.00000  111.20000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    48    70.00000  116.00000
   38    46    47    80.00000  120.40000
   38    46    57    70.00000  116.60000
   42    38    39    35.00000  109.50000
   42    48    60    75.00000  107.99600
   42    48    75    63.00000  111.10000
   42    48    62    90.00000  109.61100
   48    42    43    80.00000  120.40000
   48    60    61    80.00000  120.40000
   48    60    64    65.00000  115.47100
   48    75    67    58.35000  112.70000
   48    75    76    37.50000  110.70000
   48    75    40    58.35000  112.70000
   48    62    63    55.00000  108.50000
   60    64    65    60.00000  119.52600
   60    64    79    60.00000  119.52600
   64    60    61    75.00000  123.78400
   64    65    66    63.00000  120.00000
   64    65    67    70.00000  120.00000
   64    79    77    63.00000  120.00000
   64    79    84    70.00000  120.00000
   65    66    70    63.00000  120.00000
   65    66    71    70.00000  120.00000
   65    67    68    35.00000  109.50000
   65    67    69    35.00000  109.50000
   65    67    75    70.00000  112.17500
   66    70    77    63.00000  120.00000
   66    70    88    63.00000  120.00000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    74    35.00000  109.50000
   70    77    78    63.00000  120.00000
   70    77    79    63.00000  120.00000
   70    88    86    63.00000  120.00000
   70    88    89    75.00000  120.00000
   77    78    80    63.00000  120.00000
   77    78    82    70.00000  120.00000
   77    79    84    70.00000  120.00000
   78    80    81    35.00000  120.00000
   78    80    86    63.00000  120.00000
   78    82    83    35.00000  113.00000
   80    86    87    35.00000  120.00000
   80    86    88    63.00000  120.00000
   86    80    81    35.00000  120.00000
   86    88    89    75.00000  120.00000
   88    70    77    63.00000  120.00000
   88    86    87    35.00000  120.00000
   82    78    80    70.00000  120.00000
   79    64    65    63.00000  120.00000
   79    77    78    63.00000  120.00000
   79    84    85    35.00000  113.00000
   71    66    70    70.00000  120.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   67    65    66    70.00000  120.00000
   67    75    76    37.50000  110.70000
   67    75    40    58.35000  112.70000
   69    67    68    33.00000  107.80000
   75    48    60    63.00000  111.10000
   75    67    68    37.50000  110.70000
   75    67    69    37.50000  110.70000
   75    40    41    37.50000  110.70000
   75    40    44    80.00000  111.20000
   40    33    34    50.00000  109.50000
   40    33    38    58.35000  112.70000
   40    75    76    37.50000  110.70000
   40    44    45    35.00000  109.50000
   40    44    49    75.00000  113.01200
   40    44    53    75.00000  113.01200
   44    40    41    35.00000  109.50000
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    52    35.00000  109.50000
   44    53    54    35.00000  109.50000
   44    53    55    35.00000  109.50000
   44    53    56    35.00000  109.50000
   49    44    45    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   53    44    45    35.00000  109.50000
   53    44    49    75.00000  113.01200
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   62    48    60    90.00000  109.61100
   62    48    75    50.00000  109.50000
   46    38    39    35.00000  109.50000
   46    38    42    70.00000  107.85200
   46    57    58    35.00000  119.80000
   46    57    59    35.00000  119.80000
   57    46    47    80.00000  122.90000
   59    57    58    35.00000  120.00000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    46   0.56750  1.0 1.0
   29    33    38    46  -0.07550 -1.0 2.0
   29    33    38    46   0.20000  1.0 3.0
   29    33    40    75   0.44750  1.0 1.0
   29    33    40    75  -0.17800 -1.0 2.0
   29    33    40    75   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    48   0.60050  1.0 1.0
   33    38    42    48   0.05600 -1.0 2.0
   33    38    42    48   0.26150  1.0 3.0
   33    38    46    47   0.30150 -1.0 2.0
   33    38    46    57   1.39750  1.0 1.0
   33    38    46    57  -0.07950 -1.0 2.0
   33    38    46    57  -0.18750  1.0 3.0
   33    40    44    45   0.17350  1.0 3.0
   33    40    44    49   0.47100  1.0 1.0
   33    40    44    53   0.47100  1.0 1.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    38    46  -0.09450  1.0 1.0
   34    33    38    46  -1.12950 -1.0 2.0
   34    33    38    46   0.54000  1.0 3.0
   34    33    40    75   0.62750  1.0 1.0
   34    33    40    75  -0.30950 -1.0 2.0
   34    33    40    75   0.27300  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   1.69300  1.0 1.0
   34    33    40    44  -0.48450 -1.0 2.0
   38    33    40    75   0.56750  1.0 1.0
   38    33    40    75  -0.07550 -1.0 2.0
   38    33    40    75   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   1.36600  1.0 1.0
   38    33    40    44  -0.11450 -1.0 2.0
   38    33    40    44   0.24250  1.0 3.0
   38    42    48    60   0.65300  1.0 1.0
   38    42    48    60  -0.03850 -1.0 2.0
   38    42    48    60   0.33900  1.0 3.0
   38    42   -48    75   0.60050  1.0 1.0
   38    42   -48    75   0.05600 -1.0 2.0
   38    42   -48    75   0.26150  1.0 3.0
   38    42    48    62   0.55300  1.0 1.0
   38    42    48    62   1.25850 -1.0 2.0
   38    42    48    62  -0.23600  1.0 3.0
   38    46    57    58   2.45000 -1.0 2.0
   38    46    57    59   2.45000 -1.0 2.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    48   0.00000  1.0 1.0
   39    38    46    47   0.00000  1.0 1.0
   39    38    46    57   0.00000  1.0 1.0
   42    38    46    47   0.30150 -1.0 2.0
   42    38    46    57   0.00000  1.0 1.0
   42    48    60    61   0.30150 -1.0 2.0
   42    48    60    64   0.65300  1.0 1.0
   42    48    60    64  -0.03850 -1.0 2.0
   42    48    60    64   0.33900  1.0 3.0
   42    48    75    67  -0.95700  1.0 1.0
   42    48    75    67  -0.18200 -1.0 2.0
   42    48    75    67   0.29450  1.0 3.0
   42    48    75    76  -0.11250  1.0 3.0
   42    48    75    40  -0.95700  1.0 1.0
   42    48    75    40  -0.18200 -1.0 2.0
   42    48    75    40   0.29450  1.0 3.0
   42    48    62    63   0.91850  1.0 1.0
   42    48    62    63   0.57950  1.0 3.0
   43    42    48    60   0.30150 -1.0 2.0
   43    42    48    75   0.30150 -1.0 2.0
   43    42    48    62   0.30150 -1.0 2.0
   48    60    64    65   2.26350  1.0 1.0
   48    60    64    65   0.76750 -1.0 2.0
   48    60    64    65   0.22500  1.0 3.0
   48    60    64    79   2.26350  1.0 1.0
   48    60    64    79   0.76750 -1.0 2.0
   48    60    64    79   0.22500  1.0 3.0
   48    75   -40    33   0.56750  1.0 1.0
   48    75   -40    33  -0.07550 -1.0 2.0
   48    75   -40    33   0.20000  1.0 3.0
   48    75    40    41   0.15000  1.0 3.0
   48    75    40    44   1.36600  1.0 1.0
   48    75    40    44  -0.11450 -1.0 2.0
   48    75    40    44   0.24250  1.0 3.0
   60    48    75    67  -0.95700  1.0 1.0
   60    48    75    67  -0.18200 -1.0 2.0
   60    48    75    67   0.29450  1.0 3.0
   60    48    75    76  -0.11250  1.0 3.0
   60    48    75    40  -0.95700  1.0 1.0
   60    48    75    40  -0.18200 -1.0 2.0
   60    48    75    40   0.29450  1.0 3.0
   60    48    62    63   0.91850  1.0 1.0
   60    48    62    63   0.57950  1.0 3.0
   60    64    65    66   3.62500 -1.0 2.0
   60    64   -65    67   3.62500 -1.0 2.0
   60    64    79    77   3.62500 -1.0 2.0
   60    64    79    84   3.62500 -1.0 2.0
   61    60    64    65   1.05000 -1.0 2.0
   61    60    64    79   1.05000 -1.0 2.0
   64    65    66    70   3.62500 -1.0 2.0
   64    65    66    71   3.62500 -1.0 2.0
   64    65    67    68   0.00000  1.0 1.0
   64    65    67    69   0.00000  1.0 1.0
   64    65    67    75   0.04150 -1.0 2.0
   64    79    84    85   0.84100 -1.0 2.0
   65    64    79    77   3.62500 -1.0 2.0
   65    64    79    84   3.62500 -1.0 2.0
   65    66   -70    77   3.62500 -1.0 2.0
   65    66    70    88   3.62500 -1.0 2.0
   65    66    71    72   0.00000  1.0 1.0
   65    66    71    73   0.00000  1.0 1.0
   65    66    71    74   0.00000  1.0 1.0
   65    67   -75    48  -0.03700  1.0 1.0
   65    67   -75    48   0.37200 -1.0 2.0
   65    67   -75    48  -0.47300  1.0 3.0
   65    67    75    76   0.43200  1.0 3.0
   65    67    75    40  -0.03700  1.0 1.0
   65    67    75    40   0.37200 -1.0 2.0
   65    67    75    40  -0.47300  1.0 3.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    69   0.00000  1.0 1.0
   66    65    67    75   0.04150 -1.0 2.0
   66    70    77    78   3.62500 -1.0 2.0
   66    70    77    79   3.62500 -1.0 2.0
   66    70    88    86   3.62500 -1.0 2.0
   66    70    88    89   3.62500 -1.0 2.0
   70    66    71    72   0.00000  1.0 1.0
   70    66    71    73   0.00000  1.0 1.0
   70    66    71    74   0.00000  1.0 1.0
   70    77    78    80   3.62500 -1.0 2.0
   70    77    78    82   3.62500 -1.0 2.0
   70    77   -79    64   3.62500 -1.0 2.0
   70    77    79    84   3.62500 -1.0 2.0
   77    70    88    86   3.62500 -1.0 2.0
   77    70    88    89   3.62500 -1.0 2.0
   77    78    80    81   3.62500 -1.0 2.0
   77    78   -80    86   3.62500 -1.0 2.0
   77    78    82    83   0.84100 -1.0 2.0
   77    79    84    85   0.84100 -1.0 2.0
   78    77    79    64   3.62500 -1.0 2.0
   78    77    79    84   3.62500 -1.0 2.0
   78    80    86    87   3.62500 -1.0 2.0
   78    80    86    88   3.62500 -1.0 2.0
   80    78    82    83   0.84100 -1.0 2.0
   80    86   -88    70   3.62500 -1.0 2.0
   80    86    88    89   3.62500 -1.0 2.0
   81    80    86    87   3.62500 -1.0 2.0
   81    80    86    88   3.62500 -1.0 2.0
   87    86    88    70   3.62500 -1.0 2.0
   87    86    88    89   3.62500 -1.0 2.0
   88    70   -77    78   3.62500 -1.0 2.0
   88    70    77    79   3.62500 -1.0 2.0
   82    78    80    81   3.62500 -1.0 2.0
   82    78    80    86   3.62500 -1.0 2.0
   79    64   -65    66   3.62500 -1.0 2.0
   79    64    65    67   3.62500 -1.0 2.0
   79    77    78    80   3.62500 -1.0 2.0
   79    77    78    82   3.62500 -1.0 2.0
   71    66    70    77   3.62500 -1.0 2.0
   71    66    70    88   3.62500 -1.0 2.0
   67    65    66    70   3.62500 -1.0 2.0
   67    65    66    71   3.62500 -1.0 2.0
   67    75    40    33   0.56750  1.0 1.0
   67    75    40    33  -0.07550 -1.0 2.0
   67    75    40    33   0.20000  1.0 3.0
   67    75    40    41   0.15000  1.0 3.0
   67    75    40    44   1.36600  1.0 1.0
   67    75    40    44  -0.11450 -1.0 2.0
   67    75    40    44   0.24250  1.0 3.0
   68    67    75    48   0.15000  1.0 3.0
   68    67    75    76   0.15000  1.0 3.0
   68    67    75    40   0.15000  1.0 3.0
   69    67    75    48   0.15000  1.0 3.0
   69    67    75    76   0.15000  1.0 3.0
   69    67    75    40   0.15000  1.0 3.0
   75    48    60    61   0.30150 -1.0 2.0
   75    48   -60    64   0.05850 -1.0 2.0
   75    48   -60    64   0.17250  1.0 3.0
   75    48    62    63  -0.11600  1.0 1.0
   75    48    62    63  -0.09450 -1.0 2.0
   75    48    62    63   0.21250  1.0 3.0
   75    40    44    45   0.17350  1.0 3.0
   75    40    44    49   0.47100  1.0 1.0
   75    40    44    53   0.47100  1.0 1.0
   76    75    40    33   0.15000  1.0 3.0
   76    75    40    41   0.15000  1.0 3.0
   76    75    40    44   0.19200  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42  -0.95700  1.0 1.0
   40    33   -38    42  -0.18200 -1.0 2.0
   40    33   -38    42   0.29450  1.0 3.0
   40    33    38    46  -0.95700  1.0 1.0
   40    33    38    46  -0.18200 -1.0 2.0
   40    33    38    46   0.29450  1.0 3.0
   40    44    49    50   0.15000  1.0 3.0
   40    44    49    51   0.15000  1.0 3.0
   40    44    49    52   0.15000  1.0 3.0
   40    44    53    54   0.15000  1.0 3.0
   40    44    53    55   0.15000  1.0 3.0
   40    44    53    56   0.15000  1.0 3.0
   41    40    44    45   0.13050  1.0 3.0
   41    40    44    49   0.15000  1.0 3.0
   41    40    44    53   0.15000  1.0 3.0
   45    44    49    50   0.13050  1.0 3.0
   45    44    49    51   0.13050  1.0 3.0
   45    44    49    52   0.13050  1.0 3.0
   45    44    53    54   0.13050  1.0 3.0
   45    44    53    55   0.13050  1.0 3.0
   45    44    53    56   0.13050  1.0 3.0
   49    44    53    54   0.15000  1.0 3.0
   49    44    53    55   0.15000  1.0 3.0
   49    44    53    56   0.15000  1.0 3.0
   53    44    49    50   0.15000  1.0 3.0
   53    44    49    51   0.15000  1.0 3.0
   53    44    49    52   0.15000  1.0 3.0
   62    48    60    61   0.30150 -1.0 2.0
   62    48    60    64   0.65300  1.0 1.0
   62    48    60    64  -0.03850 -1.0 2.0
   62    48    60    64   0.33900  1.0 3.0
   62    48    75    67   0.86500  1.0 1.0
   62    48    75    67  -0.17500 -1.0 2.0
   62    48    75    67   0.20800  1.0 3.0
   62    48    75    76   0.23400  1.0 3.0
   62    48    75    40   0.86500  1.0 1.0
   62    48    75    40  -0.17500 -1.0 2.0
   62    48    75    40   0.20800  1.0 3.0
   46    38    42    43   0.30150 -1.0 2.0
   46    38    42    48   0.65300  1.0 1.0
   46    38    42    48  -0.03850 -1.0 2.0
   46    38    42    48   0.33900  1.0 3.0
   47    46    57    58   2.45000 -1.0 2.0
   47    46    57    59   2.45000 -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
   38    48    42    43  10.50000 -1.0 2.0
   48    64    60    61  10.50000 -1.0 2.0
   65    79    64    60   4.00000 -1.0 2.0
   66    67    65    64   4.00000 -1.0 2.0
   70    71    66    65   4.00000 -1.0 2.0
   77    88    70    66   4.00000 -1.0 2.0
   78    79    77    70   4.00000 -1.0 2.0
   80    82    78    77   4.00000 -1.0 2.0
   86    81    80    78   1.10000 -1.0 2.0
   88    87    86    80   1.10000 -1.0 2.0
   86    89    88    70   4.00000 -1.0 2.0
   77    84    79    64   4.00000 -1.0 2.0
   38    57    46    47  10.50000 -1.0 2.0
   59    46    57    58   1.00000 -1.0 2.0
END
