* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    154    254     467
    1     0 S   NP   _N1_     1    28.79709    95.15651   -21.01176
    2     1 S   H    _HN1     2     1.02790    88.54572   -64.23291
    3     1 S   H    _H1_     3     1.02957    89.45176    44.04396
    4     1 S   H    _H2_     4     1.02845    32.53459   168.23064
    5     1 S   CT   _CA1     5     1.50061   143.32570   169.04433
    6     5 S   HC   _HA1     6     1.09589   105.24795    58.69598
    7     5 S   CO3  _C1_     7     1.53684   112.38529   -61.40528
    8     7 S   O2Z  _O11     8     1.26342   115.10691   -49.20339
    9     7 S   O2Z  _O12     9     1.26254   114.87520   130.29413
   10     5 S   CT   _CB1    10     1.53112   107.46155   176.33494
   11    10 S   HC   HB11    11     1.09816   109.07366   -53.76326
   12    10 S   HC   HB12    12     1.09818   110.55990    62.68638
   13    10 S   CT   _CG1    13     1.53006   112.67595  -175.03765
   14    13 S   HC   HG11    14     1.09636   110.29740   -65.62617
   15    13 S   HC   HG12    15     1.09654   110.07517    53.51070
   16    13 S   C    _CD1    16     1.51836   112.38208   173.61672
   17    16 S   O    _OE1    17     1.22707   123.26382    -7.24644
   18    16 S   N    _N2_    18     1.38555   111.56197   173.53844
   19    18 S   H    _HN2    19     1.01571   119.00387    -0.07913
   20    18 S   CT1  _CA2    20     1.46288   123.60069   179.32131
   21    20 S   HC   _HA2    21     1.09735   109.40158   -14.40896
   22    20 S   C    _C2_    22     1.53482   107.93070  -129.84792
   23    22 S   O    _O2_    23     1.22987   122.41817  -145.09003
   24    20 S   CT   _CB2    32     1.53369   111.29003   107.99574
   25    24 S   HC   HB21    33     1.09525   109.42700    51.77539
   26    24 S   HC   HB22    34     1.09492   110.54877   170.49196
   27    22 S   N    _N3_    24     1.38576   113.27883    42.28527
   28    27 S   H    _HN3    25     1.01520   118.90420    -0.44057
   29    24 S   S    _SG2    35     1.83279   111.45975   -70.39691
   30    27 S   CT   _CA3    26     1.45447   123.43290   175.11008
   31    30 S   HC   HA31    27     1.09523   109.23207    24.49777
   32    30 S   HC   HA32    28     1.09495   107.11619   141.50692
   33    29 S   CT   _C18    36     1.84777   100.53446   155.68135
   34    33 S   HC   _H8_    37     1.09694   106.54214   175.85650
   35    30 S   CO3  _C3_    29     1.52929   113.14592   -98.97500
   36    35 S   O2Z  _O31    30     1.26402   115.42602   -43.65151
   37    35 S   O2Z  _O32    31     1.26359   114.97185   137.31121
   38    33 S   CM   _C17    38     1.51714   107.98729    61.64185
   39    38 S   HC   _H25    39     1.08997   116.40566    51.01423
   40    38 S   CMA  _C16    40     1.35156   125.33876  -128.96413
   41    40 S   OM   _O33    41     1.26062   130.31637   178.65419
   42    40 S   CT   _C15    42     1.52623   117.69858    -2.59178
   43    42 S   HC   _H23    43     1.09975   108.98019    98.64761
   44    42 S   HC   _H24    44     1.09990   111.43678  -143.63162
   45    42 S   CT   _C14    45     1.53301   111.38592   -23.68820
   46    45 S   HC   _H7_    46     1.09910   109.01730   -64.85468
   47    45 S   CT   _C8_    47     1.51300   114.24038   171.16604
   48    47 S   HC   _H4_    48     1.10187    87.75291   -74.97516
   49    47 S   CT   _C9_    49     1.53240   107.03082   171.30604
   50    49 S   HC   _H17    50     1.09701   113.40565   -29.52405
   51    49 S   HC   _H18    51     1.09579   114.18947  -149.98151
   52    47 S   CT   _C7_    74     1.49885   143.99236     2.68817
   53    52 S   HC   _H15    75     1.09538   114.30210   -26.67729
   54    52 S   HC   _H16    76     1.09286   114.86731   103.58374
   55    49 S   CT   _C10    52     1.50327    99.29834    89.63766
   56    55 S   HC   _H5_    53     1.09627   110.70321   177.55343
   57    55 S   CT   _C13    54     1.59529   103.34550   -67.21485
   58    57 S   HC   _H21    55     1.09571   107.41067   168.18852
   59    57 S   HC   _H22    56     1.09855   106.14380   -77.41227
   60    55 S   CT   _C11    58     1.58889   107.49836    57.28572
   61    60 S   HC   _H6_    59     1.09794   111.30847  -113.53515
   62    33 S   NT   _N5_    57     1.46815   112.20060   -64.89258
   63    60 S   CT   _C12    60     1.52904   111.94741   123.07554
   64    63 S   HC   _H19    61     1.09469   109.39202    59.30484
   65    63 S   HC   _H20    62     1.09723   110.20929   -58.00186
   66    63 S   CT   _C4_    63     1.52689   111.45696  -179.77186
   67    66 S   HC   _H9_    64     1.09708   109.39561   -64.83201
   68    66 S   HC   _H10    65     1.09592   109.54353   178.35194
   69    66 S   CT   _C5_    66     1.52648   112.00522    56.63285
   70    69 S   HC   _H11    67     1.09734   109.17115    67.74786
   71    69 S   HC   _H12    68     1.09588   109.42983  -175.78313
   72    69 S   CT   _C6_    69     1.52221   112.48426   -53.95843
   73    72 S   HC   _H13    70     1.09461   110.72772   173.83026
   74    72 S   HC   _H14    71     1.09497   112.16307   -63.24116
   75    60 S   NP   _N4_    72     1.62074   111.55249     4.57526
   76    75 S   H    _H3_    73     1.02901   105.78770    67.93245
  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   8   5   4   3
  14   6   2   1   1   9   4   8   4  10   5   4  15   6  15   9
  15   6   5  13   5   4  14   8   7   3   2  14   7   1  11   6
   5   9   5   4   7   5   4   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    62    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    57    62  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    46    47    55    57    58    59    62  
   38    39    40    45    57    62  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    57    62  
   40    41    42    62  
   41    42    43    44    45    46    47    62  
   42    43    44    45  
   43    44    45    46    47    48    49    57    62    52  
   44    45    46    47    62  
   45    46    47    62  
   46    47    48    49    50    51    55    57    58    59    62    75    52    53    54  
   47    48    49    57    62    52  
   48    49    50    51    55    56    57    62    60    72    75    76    52    53    54  
   49    50    51    55    62    75    52    53    54  
   50    51    55    56    57    58    59    62    60    61    63    75    52    53    54  
   51    55    56    57    60    52  
   55    56    57    60    52  
   53    54    55    60    61    62    63    69    72    73    74    75    76  
   54    60    72    75    76  
   60    72    75    76  
   56    57    58    59    62    60    61    63    64    65    66    72    75    76  
   57    58    59    62    60    61    63    75  
   58    59    62    60    61    63    75  
   59    62    60  
   62    60  
   61    63    64    65    66    67    68    69    72    73    74    75    76    62  
   63    64    65    66    72    75    76  
    0  
   64    65    66    67    68    69    70    71    72    75    76  
   65    66    67    68    69    75  
   66    67    68    69    75  
   67    68    69    70    71    72    73    74    75  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72    73    74    75    76  
   71    72    73    74    75  
   72    73    74    75  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    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   0.317500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0150   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   76   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    62   382.000  1.448
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   268.000  1.529
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    62   382.000  1.448
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    60   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   382.000  1.448
   60    61   340.000  1.090
   60    63   268.000  1.529
   60    75   367.000  1.471
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   367.000  1.471
   75    76   434.000  1.010
   75    52   367.000  1.471
   52    53   340.000  1.090
   52    54   340.000  1.090
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    62    85.00000  109.00000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    62    45    51.80000  107.20000
   33    62    57    51.80000  107.20000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    45.00000  110.52000
   40    42    44    45.00000  110.52000
   40    42    45    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    45    46    37.50000  110.70000
   42    45    47    58.35000  112.70000
   42    45    62    56.20000  109.47000
   44    42    43    33.00000  107.80000
   45    42    43    37.50000  110.70000
   45    42    44    37.50000  110.70000
   45    47    48    37.50000  110.70000
   45    47    49    58.35000  112.70000
   45    47    52    58.35000  112.70000
   45    62    57    51.80000  107.20000
   47    45    46    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    55    58.35000  112.70000
   47    52    75    80.00000  111.20000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   49    47    48    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    57    58.35000  112.70000
   49    55    60    58.35000  112.70000
   51    49    50    33.00000  107.80000
   55    49    50    37.50000  110.70000
   55    49    51    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    59    37.50000  110.70000
   55    57    62    56.20000  109.47000
   55    60    61    37.50000  110.70000
   55    60    63    58.35000  112.70000
   55    60    75    80.00000  111.20000
   57    55    56    37.50000  110.70000
   59    57    58    33.00000  107.80000
   62    33    34    35.00000  109.50000
   62    33    38    75.00000  110.70900
   62    45    46    35.00000  109.50000
   62    45    47    56.20000  109.47000
   62    57    58    35.00000  109.50000
   62    57    59    35.00000  109.50000
   60    55    56    37.50000  110.70000
   60    55    57    58.35000  112.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    58.35000  112.70000
   60    75    72    75.00000  113.01200
   60    75    76    35.00000  109.50000
   60    75    52    75.00000  113.01200
   63    60    61    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    80.00000  111.20000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    75    76    35.00000  109.50000
   72    75    52    75.00000  113.01200
   74    72    73    33.00000  107.80000
   75    60    61    35.00000  109.50000
   75    60    63    80.00000  111.20000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   75    52    53    35.00000  109.50000
   75    52    54    35.00000  109.50000
   52    47    48    37.50000  110.70000
   52    47    49    58.35000  112.70000
   52    75    76    35.00000  109.50000
   54    52    53    33.00000  107.80000
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    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    62   0.01700  1.0 1.0
   24    29    33    62  -0.23550 -1.0 2.0
   24    29    33    62   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    62    45   0.23200  1.0 1.0
   29    33    62    45   0.02100 -1.0 2.0
   29    33    62    45   0.24950  1.0 3.0
   29    33    62    57   0.23200  1.0 1.0
   29    33    62    57   0.02100 -1.0 2.0
   29    33    62    57   0.24950  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    62    45   0.28000  1.0 3.0
   34    33    62    57   0.28000  1.0 3.0
   38    33    62    45  -0.60800  1.0 1.0
   38    33    62    45   1.10050 -1.0 2.0
   38    33    62    45   0.47000  1.0 3.0
   38    33    62    57  -0.60800  1.0 1.0
   38    33    62    57   1.10050 -1.0 2.0
   38    33    62    57   0.47000  1.0 3.0
   38    40    42    43   0.00000  1.0 1.0
   38    40    42    44   0.00000  1.0 1.0
   38    40   -42    45   0.09850  1.0 1.0
   38    40   -42    45   0.15250 -1.0 2.0
   38    40   -42    45  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    45    46   0.15000  1.0 3.0
   40    42    45    47   0.34400  1.0 1.0
   40    42    45    47   0.09450 -1.0 2.0
   40    42    45    47   0.11100  1.0 3.0
   40    42    45    62   0.59950  1.0 1.0
   40    42    45    62  -0.21400 -1.0 2.0
   40    42    45    62   0.56200  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    45   0.09700  1.0 1.0
   41    40    42    45   0.15600 -1.0 2.0
   41    40    42    45  -0.50800  1.0 3.0
   42    45    47    48   0.15000  1.0 3.0
   42    45    47    49   0.56750  1.0 1.0
   42    45    47    49  -0.07550 -1.0 2.0
   42    45    47    49   0.20000  1.0 3.0
   42    45    47    52   0.56750  1.0 1.0
   42    45    47    52  -0.07550 -1.0 2.0
   42    45    47    52   0.20000  1.0 3.0
   42    45   -62    33   0.23450  1.0 1.0
   42    45   -62    33   0.02050 -1.0 2.0
   42    45   -62    33   0.25250  1.0 3.0
   42    45    62    57   0.23450  1.0 1.0
   42    45    62    57   0.02050 -1.0 2.0
   42    45    62    57   0.25250  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    47   0.15000  1.0 3.0
   43    42    45    62   0.15000  1.0 3.0
   44    42    45    46   0.15000  1.0 3.0
   44    42    45    47   0.15000  1.0 3.0
   44    42    45    62   0.15000  1.0 3.0
   45    47    49    50   0.15000  1.0 3.0
   45    47    49    51   0.15000  1.0 3.0
   45    47    49    55   0.56750  1.0 1.0
   45    47    49    55  -0.07550 -1.0 2.0
   45    47    49    55   0.20000  1.0 3.0
   45    47    52    75   1.36600  1.0 1.0
   45    47    52    75  -0.11450 -1.0 2.0
   45    47    52    75   0.24250  1.0 3.0
   45    47    52    53   0.15000  1.0 3.0
   45    47    52    54   0.15000  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    52   0.15000  1.0 3.0
   46    45    62    33   0.28000  1.0 3.0
   46    45    62    57   0.28000  1.0 3.0
   47    45    62    33   0.23450  1.0 1.0
   47    45    62    33   0.02050 -1.0 2.0
   47    45    62    33   0.25250  1.0 3.0
   47    45    62    57   0.23450  1.0 1.0
   47    45    62    57   0.02050 -1.0 2.0
   47    45    62    57   0.25250  1.0 3.0
   47    49    55    56   0.15000  1.0 3.0
   47    49   -55    57   0.56750  1.0 1.0
   47    49   -55    57  -0.07550 -1.0 2.0
   47    49   -55    57   0.20000  1.0 3.0
   47    49    55    60   0.56750  1.0 1.0
   47    49    55    60  -0.07550 -1.0 2.0
   47    49    55    60   0.20000  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    55   0.15000  1.0 3.0
   48    47    52    75   0.19200  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    54   0.15000  1.0 3.0
   49    47    52    75   1.36600  1.0 1.0
   49    47    52    75  -0.11450 -1.0 2.0
   49    47    52    75   0.24250  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    54   0.15000  1.0 3.0
   49    55    57    58   0.15000  1.0 3.0
   49    55    57    59   0.15000  1.0 3.0
   49    55    57    62   1.53400  1.0 1.0
   49    55    57    62  -0.09950 -1.0 2.0
   49    55    57    62   0.05700  1.0 3.0
   49    55    60    61   0.15000  1.0 3.0
   49    55    60    63   0.56750  1.0 1.0
   49    55    60    63  -0.07550 -1.0 2.0
   49    55    60    63   0.20000  1.0 3.0
   49    55   -60    75   1.36600  1.0 1.0
   49    55   -60    75  -0.11450 -1.0 2.0
   49    55   -60    75   0.24250  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    57   0.15000  1.0 3.0
   50    49    55    60   0.15000  1.0 3.0
   51    49    55    56   0.15000  1.0 3.0
   51    49    55    57   0.15000  1.0 3.0
   51    49    55    60   0.15000  1.0 3.0
   55    57    62    33   0.23450  1.0 1.0
   55    57    62    33   0.02050 -1.0 2.0
   55    57    62    33   0.25250  1.0 3.0
   55    57   -62    45   0.23450  1.0 1.0
   55    57   -62    45   0.02050 -1.0 2.0
   55    57   -62    45   0.25250  1.0 3.0
   55    60    63    64   0.15000  1.0 3.0
   55    60    63    65   0.15000  1.0 3.0
   55    60    63    66   0.56750  1.0 1.0
   55    60    63    66  -0.07550 -1.0 2.0
   55    60    63    66   0.20000  1.0 3.0
   55    60    75    72   0.47100  1.0 1.0
   55    60    75    76   0.17350  1.0 3.0
   55    60    75    52   0.47100  1.0 1.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    62   0.15000  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    63   0.15000  1.0 3.0
   56    55    60    75   0.19200  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    63   0.56750  1.0 1.0
   57    55    60    63  -0.07550 -1.0 2.0
   57    55    60    63   0.20000  1.0 3.0
   57    55    60    75   1.36600  1.0 1.0
   57    55    60    75  -0.11450 -1.0 2.0
   57    55    60    75   0.24250  1.0 3.0
   58    57    62    33   0.28000  1.0 3.0
   58    57    62    45   0.28000  1.0 3.0
   59    57    62    33   0.28000  1.0 3.0
   59    57    62    45   0.28000  1.0 3.0
   62    33    38    39   0.00000  1.0 1.0
   62    33   -38    40   0.90200  1.0 1.0
   62    33   -38    40   0.57900 -1.0 2.0
   62    33   -38    40  -0.62100  1.0 3.0
   62    45    47    48   0.15000  1.0 3.0
   62    45   -47    49   1.53400  1.0 1.0
   62    45   -47    49  -0.09950 -1.0 2.0
   62    45   -47    49   0.05700  1.0 3.0
   62    45    47    52   1.53400  1.0 1.0
   62    45    47    52  -0.09950 -1.0 2.0
   62    45    47    52   0.05700  1.0 3.0
   60    55    57    58   0.15000  1.0 3.0
   60    55    57    59   0.15000  1.0 3.0
   60    55    57    62   1.53400  1.0 1.0
   60    55    57    62  -0.09950 -1.0 2.0
   60    55    57    62   0.05700  1.0 3.0
   60    63    66    67   0.15000  1.0 3.0
   60    63    66    68   0.15000  1.0 3.0
   60    63    66    69   0.56750  1.0 1.0
   60    63    66    69  -0.07550 -1.0 2.0
   60    63    66    69   0.20000  1.0 3.0
   60    75   -52    47   0.47100  1.0 1.0
   60    75    52    53   0.15000  1.0 3.0
   60    75    52    54   0.15000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   61    60    75    72   0.15000  1.0 3.0
   61    60    75    76   0.13050  1.0 3.0
   61    60    75    52   0.15000  1.0 3.0
   63    60    75    72   0.47100  1.0 1.0
   63    60    75    76   0.17350  1.0 3.0
   63    60    75    52   0.47100  1.0 1.0
   63    66    69    70   0.15000  1.0 3.0
   63    66    69    71   0.15000  1.0 3.0
   63    66   -69    72   0.56750  1.0 1.0
   63    66   -69    72  -0.07550 -1.0 2.0
   63    66   -69    72   0.20000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   66    69    72    73   0.15000  1.0 3.0
   66    69    72    74   0.15000  1.0 3.0
   66    69    72    75   1.36600  1.0 1.0
   66    69    72    75  -0.11450 -1.0 2.0
   66    69    72    75   0.24250  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    72   -75    60   0.47100  1.0 1.0
   69    72    75    76   0.17350  1.0 3.0
   69    72    75    52   0.47100  1.0 1.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    75   0.19200  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   71    69    72    75   0.19200  1.0 3.0
   72    75    52    47   0.47100  1.0 1.0
   72    75    52    53   0.15000  1.0 3.0
   72    75    52    54   0.15000  1.0 3.0
   73    72    75    60   0.15000  1.0 3.0
   73    72    75    76   0.13050  1.0 3.0
   73    72    75    52   0.15000  1.0 3.0
   74    72    75    60   0.15000  1.0 3.0
   74    72    75    76   0.13050  1.0 3.0
   74    72    75    52   0.15000  1.0 3.0
   75    60    63    64   0.19200  1.0 3.0
   75    60    63    65   0.19200  1.0 3.0
   75    60   -63    66   1.36600  1.0 1.0
   75    60   -63    66  -0.11450 -1.0 2.0
   75    60   -63    66   0.24250  1.0 3.0
   76    75    52    47   0.17350  1.0 3.0
   76    75    52    53   0.13050  1.0 3.0
   76    75    52    54   0.13050  1.0 3.0
   52    47    49    50   0.15000  1.0 3.0
   52    47    49    51   0.15000  1.0 3.0
   52    47   -49    55   0.56750  1.0 1.0
   52    47   -49    55  -0.07550 -1.0 2.0
   52    47   -49    55   0.20000  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    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
END
