* LIGAND DATABASE FILE (OPLS2005)
*
001      84    87    163    259     484
    1     0 S   NP   _N1_     1    29.13132    92.45640   -19.77272
    2     1 S   H    _HN1     2     1.02945   108.49571    12.97389
    3     1 S   H    _H1_     3     1.02848    36.41597   106.99639
    4     1 S   H    _H2_     4     1.02788    73.06302   -91.11558
    5     1 S   CT   _CA1     5     1.50078   135.86208   164.29331
    6     5 S   HC   _HA1     6     1.09554   105.36301    27.40086
    7     5 S   CO3  _C1_     7     1.54076   112.01232   -93.22159
    8     7 S   O2Z  _O11     8     1.26422   115.11782   -50.05335
    9     7 S   O2Z  _O12     9     1.26183   115.01045   129.03928
   10     5 S   CT   _CB1    10     1.53148   107.48325   145.64705
   11    10 S   HC   HB11    11     1.09811   110.16842   -45.78638
   12    10 S   HC   HB12    12     1.09826   109.96319    70.85201
   13    10 S   CT   _CG1    13     1.53109   112.42724  -166.67690
   14    13 S   HC   HG11    14     1.09444   110.30299   -46.53206
   15    13 S   HC   HG12    15     1.09584   110.26318    72.34047
   16    13 S   C    _CD1    16     1.51798   111.76809  -167.08191
   17    16 S   O    _OE1    17     1.22759   122.99376   -17.78633
   18    16 S   N    _N2_    18     1.38615   111.97647   161.82305
   19    18 S   H    _HN2    19     1.01649   119.19065     4.47925
   20    18 S   CT1  _CA2    20     1.46313   123.19435  -171.79608
   21    20 S   HC   _HA2    21     1.09718   109.27627   -11.96710
   22    20 S   C    _C2_    22     1.53281   108.90668  -128.14978
   23    22 S   O    _O2_    23     1.23021   122.13016  -147.48285
   24    20 S   CT   _CB2    32     1.53808   111.15463   109.46752
   25    24 S   HC   HB21    33     1.09495   109.43788    61.87585
   26    24 S   HC   HB22    34     1.09471   110.29004  -179.82983
   27    22 S   N    _N3_    24     1.38471   113.43299    39.94884
   28    27 S   H    _HN3    25     1.01530   118.89652    -0.66323
   29    24 S   S    _SG2    35     1.83279   111.29881   -59.89224
   30    27 S   CT   _CA3    26     1.45445   123.44222   175.18387
   31    30 S   HC   HA31    27     1.09525   109.21475    24.61556
   32    30 S   HC   HA32    28     1.09495   107.12045   141.60369
   33    29 S   CT   _C21    36     1.86438   101.05066   150.20125
   34    33 S   HC   _H7_    37     1.09597   107.12344   -20.06102
   35    30 S   CO3  _C3_    29     1.52925   113.16118   -98.85821
   36    35 S   O2Z  _O31    30     1.26401   115.42824   -44.18325
   37    35 S   O2Z  _O32    31     1.26362   114.97353   136.78247
   38    33 S   CT   _C20    38     1.54971   106.48466    92.95731
   39    38 S   HC   _H6_    39     1.09778   111.11985    61.06323
   40    38 S   CO4  _C19    40     1.52257   109.08696  -179.06518
   41    40 S   O    _O35    41     1.23115   123.04170   134.17587
   42    38 S   OS   _O36    80     1.42907   109.79603   -61.93811
   43    40 S   CT   _C18    42     1.50528   116.87106   -46.10538
   44    43 S   HC   _H23    43     1.09399   107.27863   114.33448
   45    43 S   HC   _H24    44     1.09583   107.83101  -128.89531
   46    42 S   CT   _C22    81     1.42226   112.98861   147.38789
   47    46 S   HC   _H25    82     1.09321   108.25795   177.24757
   48    46 S   HC   _H26    83     1.09381   111.06010    58.01235
   49    46 S   HC   _H27    84     1.09426   110.21210   -64.23902
   50    43 S   CT   _C17    45     1.53371   110.73718    -8.78487
   51    50 S   HC   _H5_    46     1.10108   106.70394   -58.52061
   52    50 S   CT   _C16    47     1.52956   111.67253  -174.89071
   53    52 S   HC   _H4_    48     1.09713   109.96661    57.46374
   54    33 S   CT   _C7_    60     1.61196   113.62521  -139.71483
   55    52 S   CT   _C15    49     1.52660   111.16447   -63.88514
   56    55 S   HC   _H21    50     1.09503   110.93489  -163.32201
   57    55 S   HC   _H22    51     1.09864   108.04235    80.94596
   58    54 S   CT   _C6_    61     1.56517   114.75178   -12.99106
   59    58 S   HC   _H13    62     1.09608   111.50866    63.72408
   60    58 S   HC   _H14    63     1.09844   109.20286   -54.18637
   61    52 S   NP   _N4_    67     1.52559   107.89309   171.27695
   62    61 S   H    _H3_    68     1.02929   105.09094   -58.04908
   63    55 S   CA   _C9_    52     1.51186   115.12408   -38.34700
   64    58 S   CT   _C5_    64     1.52942   114.44781  -174.84022
   65    64 S   HC   _H11    65     1.09575   109.96676   169.33941
   66    64 S   HC   _H12    66     1.09418   112.94795   -69.55560
   67    61 S   CT   _C4_    69     1.50637   114.09670  -171.62628
   68    67 S   HC   _H8_    70     1.09212   109.23627   -74.25954
   69    67 S   HC   _H9_    71     1.09282   108.30436    47.19929
   70    67 S   HC   _H10    72     1.09353   107.69348   165.89565
   71    63 S   CA   _C10    53     1.41046   115.93871  -173.28817
   72    71 S   HA   _H15    54     1.08823   120.08576    -1.27917
   73    71 S   CA   _C11    55     1.38698   121.11710   178.01082
   74    73 S   HA   _H16    56     1.08563   120.22842  -179.35320
   75    73 S   CA   _C12    57     1.38625   118.90498    -0.80259
   76    75 S   CA   _C13    58     1.40280   120.79875    -0.54176
   77    75 S   OS   _O34    75     1.37276   118.43078  -176.13411
   78    63 S   CA   _C8_    59     1.42072   123.23572     6.35302
   79    76 S   OH   _O33    73     1.36725   115.03814  -173.91105
   80    79 S   HO   _H17    74     0.97010   109.45874   159.33509
   81    77 S   CT   _C14    76     1.42781   109.96141   -93.90951
   82    81 S   HC   _H18    77     1.09407   107.81488  -180.00000
   83    81 S   HC   _H19    78     1.09562   111.13463    61.79209
   84    81 S   HC   _H20    79     1.09556   111.37175   -61.66386
  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
  19   8   2   1   1  15   6  10   5   6  11   5   4   3   2   1
   1  17   7  18   9  14  12   5   4  11   6   5   9   7   8   7
   2   1   3   2   1   1   7   4   7   3   9   5   6   2   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    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    78    54    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    50    51    52    63    76    78    54    58    59    60    64    42    46  
   38    39    40    50    78    54    58    42  
   36    37  
   37  
    0  
   39    40    41    43    44    45    50    78    54    58    42    46    47    48    49  
   40    41    43    54    42    46  
   41    43    44    45    50    51    52    54    42    46  
   43    44    45    50    42  
   46    47    48    49    43    54  
   44    45    50    51    52    53    55    78    54    58    61  
   45    50    51    52    54  
   50    51    52    54  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    55    56    57    63    76    78    54    58    59    60    64    61    62    67  
   52    53    55    78    54    58    61  
   53    55    56    57    63    71    78    54    58    64    65    66    61    62    67    68    69    70  
   55    56    57    63    54    64    61    62    67  
   58    59    60    64    65    66    61    79    55    63    71    75    76    78  
   56    57    63    71    72    73    76    78    64    61    62    67  
   57    63    71    78    61  
   63    71    78    61  
   59    60    64    65    66    61    62    67    63    76    78  
   60    64    65    66    61    78  
   64    65    66    61    78  
   62    67    68    69    70    63    64    65    66  
   67    68    69    70    64    65    66  
   71    72    73    74    75    76    78    79  
   65    66    67    68    69    70    78  
   66    67  
   67  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74    75    76    78    77  
   73    74    75    78  
   74    75    76    78    79    77    81  
   75    76    77  
   76    78    79    80    77    81    82    83    84  
   78    79    80    77    81  
   81    82    83    84    78    79  
   79    80  
   80  
    0  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   62   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5000   0.0660   0.090000   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   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    54   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   320.000  1.410
   40    41   570.000  1.229
   40    43   317.000  1.522
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    55   268.000  1.529
   52    61   367.000  1.471
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    63   317.000  1.510
   63    71   469.000  1.400
   63    78   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   469.000  1.400
   75    77   450.000  1.364
   76    78   469.000  1.400
   76    79   450.000  1.364
   78    54   317.000  1.510
   54    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    61   367.000  1.471
   61    62   434.000  1.010
   61    67   367.000  1.471
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   79    80   553.000  0.945
   77    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   42    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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  111.63000
   29    33    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    54    50    58.35000  112.70000
   33    54    78    70.00000  112.17500
   33    54    58    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    43    70.00000  116.00000
   38    42    46    60.00000  109.50000
   40    38    39    35.00000  109.50000
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    50    63.00000  111.10000
   43    40    41    80.00000  120.40000
   43    50    51    37.50000  110.70000
   43    50    52    58.35000  112.70000
   43    50    54    58.35000  112.70000
   45    43    44    33.00000  107.80000
   50    43    44    37.50000  110.70000
   50    43    45    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    55    58.35000  112.70000
   50    52    61    80.00000  111.20000
   50    54    78    70.00000  112.17500
   50    54    58    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    63    70.00000  112.17500
   52    61    64    75.00000  113.01200
   52    61    62    35.00000  109.50000
   52    61    67    75.00000  113.01200
   55    52    53    37.50000  110.70000
   55    63    71    70.00000  120.00000
   55    63    78    70.00000  120.00000
   57    55    56    33.00000  107.80000
   63    55    56    35.00000  109.50000
   63    55    57    35.00000  109.50000
   63    71    72    35.00000  120.00000
   63    71    73    63.00000  120.00000
   63    78    76    63.00000  120.00000
   63    78    54    70.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    63.00000  120.00000
   73    75    77    70.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    78    63.00000  120.00000
   75    76    79    70.00000  120.00000
   75    77    81    75.00000  111.00000
   76    78    54    70.00000  120.00000
   76    79    80    35.00000  113.00000
   78    63    71    63.00000  120.00000
   78    54    58    70.00000  112.17500
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    64    58.35000  112.70000
   58    64    65    37.50000  110.70000
   58    64    66    37.50000  110.70000
   58    64    61    80.00000  111.20000
   60    58    59    33.00000  107.80000
   64    58    59    37.50000  110.70000
   64    58    60    37.50000  110.70000
   64    61    62    35.00000  109.50000
   64    61    67    75.00000  113.01200
   66    64    65    33.00000  107.80000
   61    52    53    35.00000  109.50000
   61    52    55    80.00000  111.20000
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    67    68    35.00000  109.50000
   61    67    69    35.00000  109.50000
   61    67    70    35.00000  109.50000
   67    61    62    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   79    76    78    70.00000  120.00000
   77    75    76    70.00000  120.00000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  108.74100
   42    46    47    35.00000  109.50000
   42    46    48    35.00000  109.50000
   42    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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   0.01700  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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  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    54    50   0.44750  1.0 1.0
   29    33    54    50  -0.17800 -1.0 2.0
   29    33    54    50   0.20200  1.0 3.0
   29    33    54    78   0.56750  1.0 1.0
   29    33    54    78  -0.07550 -1.0 2.0
   29    33    54    78   0.20000  1.0 3.0
   29    33    54    58   0.44750  1.0 1.0
   29    33    54    58  -0.17800 -1.0 2.0
   29    33    54    58   0.20200  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    43   0.60050  1.0 1.0
   33    38    40    43   0.05600 -1.0 2.0
   33    38    40    43   0.26150  1.0 3.0
   33    38    42    46   0.06250  1.0 1.0
   33    38    42    46  -0.01100 -1.0 2.0
   33    38    42    46   0.28050  1.0 3.0
   33    54    58    59   0.15000  1.0 3.0
   33    54    58    60   0.15000  1.0 3.0
   33    54    58    64   0.56750  1.0 1.0
   33    54    58    64  -0.07550 -1.0 2.0
   33    54    58    64   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    54    50   0.15000  1.0 3.0
   34    33    54    78   0.43200  1.0 3.0
   34    33    54    58   0.15000  1.0 3.0
   38    33    54    50   0.56750  1.0 1.0
   38    33    54    50  -0.07550 -1.0 2.0
   38    33    54    50   0.20000  1.0 3.0
   38    33    54    78  -0.03700  1.0 1.0
   38    33    54    78   0.37200 -1.0 2.0
   38    33    54    78  -0.47300  1.0 3.0
   38    33    54    58   0.56750  1.0 1.0
   38    33    54    58  -0.07550 -1.0 2.0
   38    33    54    58   0.20000  1.0 3.0
   38    40    43    44   0.00000  1.0 1.0
   38    40    43    45   0.00000  1.0 1.0
   38    40   -43    50   0.60050  1.0 1.0
   38    40   -43    50   0.05600 -1.0 2.0
   38    40   -43    50   0.26150  1.0 3.0
   38    42    46    47   0.37050  1.0 3.0
   38    42    46    48   0.37050  1.0 3.0
   38    42    46    49   0.37050  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    43   0.00000  1.0 1.0
   39    38    42    46   0.37050  1.0 3.0
   40    38    42    46  -1.11000  1.0 1.0
   40    38    42    46   0.50250 -1.0 2.0
   40    38    42    46   0.47450  1.0 3.0
   40    43    50    51  -0.11250  1.0 3.0
   40    43    50    52  -0.95700  1.0 1.0
   40    43    50    52  -0.18200 -1.0 2.0
   40    43    50    52   0.29450  1.0 3.0
   40    43    50    54  -0.95700  1.0 1.0
   40    43    50    54  -0.18200 -1.0 2.0
   40    43    50    54   0.29450  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    45   0.00000  1.0 1.0
   41    40    43    50   0.30150 -1.0 2.0
   43    50    52    53   0.15000  1.0 3.0
   43    50    52    55   0.56750  1.0 1.0
   43    50    52    55  -0.07550 -1.0 2.0
   43    50    52    55   0.20000  1.0 3.0
   43    50    52    61   1.36600  1.0 1.0
   43    50    52    61  -0.11450 -1.0 2.0
   43    50    52    61   0.24250  1.0 3.0
   43    50   -54    33   0.56750  1.0 1.0
   43    50   -54    33  -0.07550 -1.0 2.0
   43    50   -54    33   0.20000  1.0 3.0
   43    50    54    78  -0.03700  1.0 1.0
   43    50    54    78   0.37200 -1.0 2.0
   43    50    54    78  -0.47300  1.0 3.0
   43    50    54    58   0.56750  1.0 1.0
   43    50    54    58  -0.07550 -1.0 2.0
   43    50    54    58   0.20000  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    52   0.15000  1.0 3.0
   44    43    50    54   0.15000  1.0 3.0
   45    43    50    51   0.15000  1.0 3.0
   45    43    50    52   0.15000  1.0 3.0
   45    43    50    54   0.15000  1.0 3.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57   0.15000  1.0 3.0
   50    52    55    63  -0.03700  1.0 1.0
   50    52    55    63   0.37200 -1.0 2.0
   50    52    55    63  -0.47300  1.0 3.0
   50    52    61    64   0.47100  1.0 1.0
   50    52    61    62   0.17350  1.0 3.0
   50    52    61    67   0.47100  1.0 1.0
   50    54    58    59   0.15000  1.0 3.0
   50    54    58    60   0.15000  1.0 3.0
   50    54   -58    64   0.56750  1.0 1.0
   50    54   -58    64  -0.07550 -1.0 2.0
   50    54   -58    64   0.20000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    52    61   0.19200  1.0 3.0
   51    50    54    33   0.15000  1.0 3.0
   51    50    54    78   0.43200  1.0 3.0
   51    50    54    58   0.15000  1.0 3.0
   52    50    54    33   0.56750  1.0 1.0
   52    50    54    33  -0.07550 -1.0 2.0
   52    50    54    33   0.20000  1.0 3.0
   52    50    54    78  -0.03700  1.0 1.0
   52    50    54    78   0.37200 -1.0 2.0
   52    50    54    78  -0.47300  1.0 3.0
   52    50    54    58   0.56750  1.0 1.0
   52    50    54    58  -0.07550 -1.0 2.0
   52    50    54    58   0.20000  1.0 3.0
   52    55    63    71   0.04150 -1.0 2.0
   52    55   -63    78   0.04150 -1.0 2.0
   52    61    67    68   0.15000  1.0 3.0
   52    61    67    69   0.15000  1.0 3.0
   52    61    67    70   0.15000  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    63   0.43200  1.0 3.0
   53    52    61    64   0.15000  1.0 3.0
   53    52    61    62   0.13050  1.0 3.0
   53    52    61    67   0.15000  1.0 3.0
   55    52    61    64   0.47100  1.0 1.0
   55    52    61    62   0.17350  1.0 3.0
   55    52    61    67   0.47100  1.0 1.0
   55    63    71    72   3.62500 -1.0 2.0
   55    63    71    73   3.62500 -1.0 2.0
   55    63    78    76   3.62500 -1.0 2.0
   55    63    78    54   3.62500 -1.0 2.0
   56    55    63    71   0.00000  1.0 1.0
   56    55    63    78   0.00000  1.0 1.0
   57    55    63    71   0.00000  1.0 1.0
   57    55    63    78   0.00000  1.0 1.0
   63    71    73    74   3.62500 -1.0 2.0
   63    71    73    75   3.62500 -1.0 2.0
   63    78    54    33   0.04150 -1.0 2.0
   63    78   -54    50   0.04150 -1.0 2.0
   63    78    54    58   0.04150 -1.0 2.0
   71    63    78    76   3.62500 -1.0 2.0
   71    63    78    54   3.62500 -1.0 2.0
   71    73   -75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    76    78   3.62500 -1.0 2.0
   73    75    76    79   3.62500 -1.0 2.0
   73    75    77    81   1.63200 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    76   -78    63   3.62500 -1.0 2.0
   75    76    78    54   3.62500 -1.0 2.0
   75    76    79    80   0.84100 -1.0 2.0
   75    77    81    82   0.08050  1.0 3.0
   75    77    81    83   0.08050  1.0 3.0
   75    77    81    84   0.08050  1.0 3.0
   76    75    77    81   1.63200 -1.0 2.0
   76    78    54    33   0.04150 -1.0 2.0
   76    78    54    50   0.04150 -1.0 2.0
   76    78    54    58   0.04150 -1.0 2.0
   78    63    71    72   3.62500 -1.0 2.0
   78    63   -71    73   3.62500 -1.0 2.0
   78    76    79    80   0.84100 -1.0 2.0
   78    54    58    59   0.43200  1.0 3.0
   78    54    58    60   0.43200  1.0 3.0
   78    54    58    64  -0.03700  1.0 1.0
   78    54    58    64   0.37200 -1.0 2.0
   78    54    58    64  -0.47300  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33   -38    40  -0.95700  1.0 1.0
   54    33   -38    40  -0.18200 -1.0 2.0
   54    33   -38    40   0.29450  1.0 3.0
   54    33    38    42   0.62750  1.0 1.0
   54    33    38    42  -0.30950 -1.0 2.0
   54    33    38    42   0.27300  1.0 3.0
   54    50    52    53   0.15000  1.0 3.0
   54    50   -52    55   0.56750  1.0 1.0
   54    50   -52    55  -0.07550 -1.0 2.0
   54    50   -52    55   0.20000  1.0 3.0
   54    50    52    61   1.36600  1.0 1.0
   54    50    52    61  -0.11450 -1.0 2.0
   54    50    52    61   0.24250  1.0 3.0
   54    58    64    65   0.15000  1.0 3.0
   54    58    64    66   0.15000  1.0 3.0
   54    58   -64    61   1.36600  1.0 1.0
   54    58   -64    61  -0.11450 -1.0 2.0
   54    58   -64    61   0.24250  1.0 3.0
   58    64   -61    52   0.47100  1.0 1.0
   58    64    61    62   0.17350  1.0 3.0
   58    64    61    67   0.47100  1.0 1.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    66   0.15000  1.0 3.0
   59    58    64    61   0.19200  1.0 3.0
   60    58    64    65   0.15000  1.0 3.0
   60    58    64    66   0.15000  1.0 3.0
   60    58    64    61   0.19200  1.0 3.0
   64    61    67    68   0.15000  1.0 3.0
   64    61    67    69   0.15000  1.0 3.0
   64    61    67    70   0.15000  1.0 3.0
   65    64    61    52   0.15000  1.0 3.0
   65    64    61    62   0.13050  1.0 3.0
   65    64    61    67   0.15000  1.0 3.0
   66    64    61    52   0.15000  1.0 3.0
   66    64    61    62   0.13050  1.0 3.0
   66    64    61    67   0.15000  1.0 3.0
   61    52    55    56   0.19200  1.0 3.0
   61    52    55    57   0.19200  1.0 3.0
   61    52    55    63   1.24050  1.0 1.0
   61    52    55    63   0.48100 -1.0 2.0
   61    52    55    63   1.08150  1.0 3.0
   62    61    67    68   0.13050  1.0 3.0
   62    61    67    69   0.13050  1.0 3.0
   62    61    67    70   0.13050  1.0 3.0
   79    76    78    63   3.62500 -1.0 2.0
   79    76    78    54   3.62500 -1.0 2.0
   77    75    76    78   3.62500 -1.0 2.0
   77    75    76    79   3.62500 -1.0 2.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    43   0.55300  1.0 1.0
   42    38    40    43   1.25850 -1.0 2.0
   42    38    40    43  -0.23600  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
   38    43    40    41  10.50000 -1.0 2.0
   71    78    63    55   4.00000 -1.0 2.0
   73    72    71    63   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   76    77    75    73   4.00000 -1.0 2.0
   78    79    76    75   4.00000 -1.0 2.0
   76    54    78    63   4.00000 -1.0 2.0
END
