* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    145    234     428
    1     0 S   NP   _N1_     1    28.83465    93.29713   -19.73769
    2     1 S   H    _HN1     2     1.02961   101.68482    38.06246
    3     1 S   H    _H1_     3     1.02840    25.39898   143.40863
    4     1 S   H    _H2_     4     1.02785    86.75235   -69.93167
    5     1 S   CT   _CA1     5     1.50125   133.87957   172.02051
    6     5 S   HC   _HA1     6     1.09586   105.21557    46.55041
    7     5 S   CO3  _C1_     7     1.53727   112.17630   -73.46754
    8     7 S   O2Z  _O11     8     1.26334   115.08008   -49.37666
    9     7 S   O2Z  _O12     9     1.26230   114.83750   129.60996
   10     5 S   CT   _CB1    10     1.53071   107.37573   164.15945
   11    10 S   HC   HB11    11     1.09818   109.12922   -52.28125
   12    10 S   HC   HB12    12     1.09825   110.49955    64.15577
   13    10 S   CT   _CG1    13     1.53039   112.78345  -173.53571
   14    13 S   HC   HG11    14     1.09516   110.19511   -63.72758
   15    13 S   HC   HG12    15     1.09627   110.21567    55.41406
   16    13 S   C    _CD1    16     1.51847   112.08417   175.39002
   17    16 S   O    _OE1    17     1.22762   123.06329   -12.71414
   18    16 S   N    _N2_    18     1.38609   111.95240   168.20617
   19    18 S   H    _HN2    19     1.01621   119.11304    -0.18345
   20    18 S   CT1  _CA2    20     1.46358   123.28199  -179.35290
   21    20 S   HC   _HA2    21     1.09736   109.29419   -14.81454
   22    20 S   C    _C2_    22     1.53405   108.44427  -130.50725
   23    22 S   O    _O2_    23     1.23015   122.21534  -146.89222
   24    20 S   CT   _CB2    32     1.53547   111.42537   107.25315
   25    24 S   HC   HB21    33     1.09301   109.10121    56.71212
   26    24 S   HC   HB22    34     1.09501   110.56706   175.00660
   27    22 S   N    _N3_    24     1.38504   113.37581    40.57595
   28    27 S   H    _HN3    25     1.01529   118.89777    -0.73675
   29    24 S   S    _SG2    35     1.82976   111.26975   -65.73462
   30    27 S   CT   _CA3    26     1.45453   123.48409   175.06624
   31    30 S   HC   HA31    27     1.09521   109.26971    23.58486
   32    30 S   HC   HA32    28     1.09496   107.10756   140.59665
   33    29 S   CT   _C21    36     1.86397   101.84164   153.48460
   34    30 S   CO3  _C3_    29     1.52928   113.11901   -99.91670
   35    34 S   O2Z  _O31    30     1.26405   115.41735   -44.03538
   36    34 S   O2Z  _O32    31     1.26358   114.98006   136.90985
   37    33 S   C    _C22    37     1.52132   107.07331   -65.78457
   38    37 S   O    _O36    38     1.22372   124.17177    98.85760
   39    33 S   CT   _C20    75     1.53132   109.72836    59.49585
   40    39 S   HC   _H17    76     1.09852   109.80713    45.29859
   41    39 S   HC   _H18    77     1.09672   111.16293   -72.55521
   42    37 S   N    _N5_    39     1.39068   107.14109   -84.27409
   43    42 S   CA   _C9_    40     1.42694   123.94343   166.93831
   44    42 S   C    _C15    62     1.38955   111.44717   -15.46855
   45    44 S   O    _O35    63     1.22314   129.72382   175.12235
   46    43 S   CA   _C8_    41     1.40813   120.95487   152.35203
   47    46 S   HA   _H7_    42     1.08431   118.86909    -1.92803
   48    33 S   CT   _C16    64     1.53858   108.64042  -174.01476
   49    48 S   HC   _H3_    65     1.09638   111.90723   -36.91033
   50    46 S   CA   _C7_    43     1.40788   121.92099   179.80617
   51    48 S   CT   _C17    66     1.53489   114.52776  -162.15134
   52    51 S   HC   _H11    67     1.09847   110.73249   -76.37319
   53    51 S   HC   _H12    68     1.09717   109.24820   167.73256
   54    50 S   CA   _C12    44     1.39767   118.36948     0.13122
   55    51 S   CT   _C18    69     1.52018   112.59743    45.73911
   56    55 S   HC   _H13    70     1.09581   109.57510  -177.43288
   57    55 S   HC   _H14    71     1.09664   109.89216    65.18490
   58    54 S   CA   _C11    45     1.39175   120.85202     0.43160
   59    58 S   HA   _H8_    46     1.08629   120.49896  -179.27855
   60    54 S   OS   _O33    49     1.36755   122.81402   177.82543
   61    55 S   CT   _C19    72     1.52117   110.56423   -56.45880
   62    61 S   HC   _H15    73     1.09604   109.57574  -178.80499
   63    61 S   HC   _H16    74     1.09665   109.91572   -61.67974
   64    43 S   CA   _C10    47     1.40139   121.56232   -28.01887
   65    64 S   F    F1__    48     1.34136   121.17341    -4.84371
   66    60 S   CT   _C13    50     1.41128   112.17854    29.29952
   67    66 S   HC   _H9_    51     1.09555   107.12213  -167.91988
   68    66 S   HC   _H10    52     1.09710   109.63823    75.88691
   69    66 S   C    _C14    53     1.51551   116.00320   -47.52391
   70    69 S   O    _O34    54     1.23113   120.61105  -146.45870
   71    50 S   N    _N4_    55     1.42844   122.86144   178.28092
   72    71 S   CT   _C6_    56     1.46368   121.21959    -7.92714
   73    72 S   HC   _H5_    57     1.09651   108.91334  -155.75631
   74    72 S   HC   _H6_    58     1.09518   109.92109   -40.45348
   75    72 S   CZ   _C5_    59     1.46948   111.56455    84.40681
   76    75 S   CZ   _C4_    60     1.20060   179.77100   -67.07864
   77    76 S   HC   _H4_    61     1.06493   179.77794    31.70109
  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  12   5   4   3
  18   2   1   1  14   5  13   6   5  12  12   9   3  10   4   8
   4  13   8   5   4  11   5   4   3   6   3   7   2   1   1   1
   1   6   4   3   6   2   5   5   3   2   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    44    48    49    51    61    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    45    48    49    51    52    53    55    61    62    63    39    40    41  
   35    36  
   36  
    0  
   38    42    43    46    64    44    45    48    49    51    61    39    40    41  
   42    43    44    48    39  
   40    41    42    44    48    49    51    55    56    57    61    62    63  
   41    48    55    61    62    63  
   48    55    61    62    63  
   43    46    47    50    58    64    65    44    45    48    49    51  
   46    47    50    54    58    59    64    65    71    44    45    48  
   45    48    49    51    52    53    55    46    64  
   48    49    51  
   47    50    54    58    64    65    60    69    71    72  
   50    54    64    71  
   49    51    52    53    55    56    57    61  
   51    52    53    55  
   54    58    59    64    60    66    69    70    71    72    73    74    75  
   52    53    55    56    57    61    62    63  
   53    55    56    57    61  
   55    56    57    61  
   58    59    64    65    60    66    67    68    69    71    72  
   56    57    61    62    63  
   57    61    62    63  
   61    62    63  
   59    64    65    60    66    71  
   64    65    60  
   66    67    68    69    70    71    64  
   62    63  
   63  
    0  
   65  
    0  
   67    68    69    70    71    72  
   68    69    70    71  
   69    70    71  
   70    71    72    73    74    75  
   71    72  
   72    73    74    75    76  
   73    74    75    76    77  
   74    75    76  
   75    76  
   76    77  
   77  
    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   3.5000   0.0660   0.007500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.206700   1.8100   1.6000   0.054801302  -1.445846770
   43   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.038300   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   65   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   66   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   71   3.2500   0.1700  -0.031700   1.8100   1.6000   0.054801302  -1.445846770
   72   3.5000   0.0660  -0.050000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.6500   0.1500   0.010000   2.0580   1.8250   0.025318638  -1.264311570
   76   3.6500   0.1500  -0.210000   2.0580   1.8250   0.025318638  -1.264311570
   77   2.4200   0.0300   0.200000   1.3810   1.2100   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    48   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    42   490.000  1.335
   42    43   360.000  1.404
   42    44   490.000  1.335
   43    46   469.000  1.400
   43    64   469.000  1.400
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    54   469.000  1.400
   50    71   360.000  1.404
   54    58   469.000  1.400
   54    60   450.000  1.364
   58    59   367.000  1.080
   58    64   469.000  1.400
   64    65   420.000  1.354
   60    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   317.000  1.522
   69    70   570.000  1.229
   69    71   490.000  1.335
   71    72   337.000  1.449
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   390.000  1.470
   75    76   985.000  1.221
   76    77   410.000  1.067
   44    45   570.000  1.229
   44    48   317.000  1.522
   48    49   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    39   268.000  1.529
   39    40   340.000  1.090
   39    41   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    70.00000  112.33000
   29    33    48    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    42    70.00000  116.60000
   33    48    44    63.00000  111.10000
   33    48    49    37.50000  110.70000
   33    48    51    58.35000  112.70000
   33    39    61    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  121.96500
   37    42    44    70.00000  121.37400
   42    37    38    80.00000  122.90000
   42    43    46    70.00000  119.01900
   42    43    64    70.00000  119.01900
   42    44    45    80.00000  122.90000
   42    44    48    70.00000  116.60000
   43    46    47    35.00000  120.00000
   43    46    50    63.00000  120.00000
   43    64    58    63.00000  120.00000
   43    64    65    80.00000  120.00000
   46    50    54    63.00000  120.00000
   46    50    71    70.00000  119.01900
   50    46    47    35.00000  120.00000
   50    54    58    63.00000  120.00000
   50    54    60    70.00000  120.00000
   50    71    69    65.00000  121.96500
   50    71    72    70.00000  121.06000
   54    58    59    35.00000  120.00000
   54    58    64    63.00000  120.00000
   54    60    66    75.00000  111.00000
   58    64    65    80.00000  120.00000
   64    43    46    63.00000  120.00000
   64    58    59    35.00000  120.00000
   60    54    58    70.00000  120.00000
   60    66    67    35.00000  109.50000
   60    66    68    35.00000  109.50000
   60    66    69    90.00000  108.55600
   66    69    70    80.00000  120.40000
   66    69    71    70.00000  116.60000
   68    66    67    33.00000  107.80000
   69    66    67    35.00000  109.50000
   69    66    68    35.00000  109.50000
   69    71    72    50.00000  121.90000
   71    50    54    70.00000  119.01900
   71    69    70    80.00000  122.90000
   71    72    73    35.00000  109.50000
   71    72    74    35.00000  109.50000
   71    72    75    80.00000  111.92500
   72    75    76    30.00000  179.48800
   74    72    73    33.00000  107.80000
   75    72    73    35.00000  108.50000
   75    72    74    35.00000  108.50000
   75    76    77    20.00000  179.85100
   44    42    43    65.00000  121.96500
   44    48    49    35.00000  109.50000
   44    48    51    63.00000  111.10000
   48    33    37    63.00000  111.10000
   48    44    45    80.00000  120.40000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    55    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    61    58.35000  112.70000
   53    51    52    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    37.50000  110.70000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    39    58.35000  112.70000
   57    55    56    33.00000  107.80000
   61    55    56    37.50000  110.70000
   61    55    57    37.50000  110.70000
   61    39    40    37.50000  110.70000
   61    39    41    37.50000  110.70000
   63    61    62    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    48    58.35000  112.70000
   39    61    62    37.50000  110.70000
   39    61    63    37.50000  110.70000
   41    39    40    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.00000  1.0 1.0
   29    33    48    44   0.56750  1.0 1.0
   29    33    48    44  -0.07550 -1.0 2.0
   29    33    48    44   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    51   0.44750  1.0 1.0
   29    33    48    51  -0.17800 -1.0 2.0
   29    33    48    51   0.20200  1.0 3.0
   29    33    39    61   0.44750  1.0 1.0
   29    33    39    61  -0.17800 -1.0 2.0
   29    33    39    61   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37    42    43   0.76000  1.0 1.0
   33    37    42    43   4.11600 -1.0 2.0
   33    37   -42    44   2.45000 -1.0 2.0
   33    48    51    52   0.15000  1.0 3.0
   33    48    51    53   0.15000  1.0 3.0
   33    48    51    55   0.56750  1.0 1.0
   33    48    51    55  -0.07550 -1.0 2.0
   33    48    51    55   0.20000  1.0 3.0
   37    33   -48    44   0.11950  1.0 1.0
   37    33   -48    44   0.20300 -1.0 2.0
   37    33   -48    44  -0.70800  1.0 3.0
   37    33    48    49  -0.11250  1.0 3.0
   37    33    48    51  -0.95700  1.0 1.0
   37    33    48    51  -0.18200 -1.0 2.0
   37    33    48    51   0.29450  1.0 3.0
   37    33    39    61  -0.95700  1.0 1.0
   37    33    39    61  -0.18200 -1.0 2.0
   37    33    39    61   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    42    43    46   1.00100  1.0 1.0
   37    42    43    46   0.85050 -1.0 2.0
   37    42    43    64   1.00100  1.0 1.0
   37    42    43    64   0.85050 -1.0 2.0
   37    42    44    45   2.22250 -1.0 2.0
   37    42   -44    48   2.45000 -1.0 2.0
   38    37    42    43   0.04000 -1.0 2.0
   38    37    42    44   2.22250 -1.0 2.0
   42    43    46    47   3.62500 -1.0 2.0
   42    43    46    50   3.62500 -1.0 2.0
   42    43    64    58   3.62500 -1.0 2.0
   42    43    64    65   3.62500 -1.0 2.0
   42    44   -48    33   1.39750  1.0 1.0
   42    44   -48    33  -0.07950 -1.0 2.0
   42    44   -48    33  -0.18750  1.0 3.0
   42    44    48    49   0.00000  1.0 1.0
   42    44    48    51   1.39750  1.0 1.0
   42    44    48    51  -0.07950 -1.0 2.0
   42    44    48    51  -0.18750  1.0 3.0
   43    42    44    45   0.04000 -1.0 2.0
   43    42    44    48   0.76000  1.0 1.0
   43    42    44    48   4.11600 -1.0 2.0
   43    46    50    54   3.62500 -1.0 2.0
   43    46    50    71   3.62500 -1.0 2.0
   46    43    64    58   3.62500 -1.0 2.0
   46    43    64    65   3.62500 -1.0 2.0
   46    50   -54    58   3.62500 -1.0 2.0
   46    50    54    60   3.62500 -1.0 2.0
   46    50    71    69   1.00100  1.0 1.0
   46    50    71    69   0.85050 -1.0 2.0
   46    50    71    72   0.81400  1.0 1.0
   46    50    71    72   1.55550 -1.0 2.0
   47    46    50    54   3.62500 -1.0 2.0
   47    46    50    71   3.62500 -1.0 2.0
   50    54    58    59   3.62500 -1.0 2.0
   50    54    58    64   3.62500 -1.0 2.0
   50    54    60    66   1.63200 -1.0 2.0
   50    71    72    73   0.00000  1.0 1.0
   50    71    72    74   0.00000  1.0 1.0
   50    71    72    75   0.17850 -1.0 2.0
   54    50    71    69   1.00100  1.0 1.0
   54    50    71    69   0.85050 -1.0 2.0
   54    50    71    72   0.81400  1.0 1.0
   54    50    71    72   1.55550 -1.0 2.0
   54    58   -64    43   3.62500 -1.0 2.0
   54    58    64    65   3.62500 -1.0 2.0
   54    60    66    67   0.08050  1.0 3.0
   54    60    66    68   0.08050  1.0 3.0
   54    60   -66    69  -0.25600  1.0 1.0
   54    60   -66    69  -0.40050 -1.0 2.0
   54    60   -66    69   0.34700  1.0 3.0
   58    54    60    66   1.63200 -1.0 2.0
   59    58    64    43   3.62500 -1.0 2.0
   59    58    64    65   3.62500 -1.0 2.0
   64    43    46    47   3.62500 -1.0 2.0
   64    43   -46    50   3.62500 -1.0 2.0
   60    54    58    59   3.62500 -1.0 2.0
   60    54    58    64   3.62500 -1.0 2.0
   60    66    69    70   0.30150 -1.0 2.0
   60    66    69    71   0.00000  1.0 1.0
   66    69   -71    50   0.76000  1.0 1.0
   66    69   -71    50   4.11600 -1.0 2.0
   66    69    71    72   1.49850  1.0 1.0
   66    69    71    72   1.53950 -1.0 2.0
   67    66    69    70   0.00000  1.0 1.0
   67    66    69    71   0.00000  1.0 1.0
   68    66    69    70   0.00000  1.0 1.0
   68    66    69    71   0.00000  1.0 1.0
   69    71    72    73   0.00000  1.0 1.0
   69    71    72    74   0.00000  1.0 1.0
   69    71    72    75  -0.42300  1.0 1.0
   69    71    72    75  -0.07000 -1.0 2.0
   69    71    72    75   0.04150  1.0 3.0
   70    69    71    50   0.04000 -1.0 2.0
   70    69    71    72   3.04450 -1.0 2.0
   71    50    54    58   3.62500 -1.0 2.0
   71    50   -54    60   3.62500 -1.0 2.0
   71    72    75    76   0.00000  1.0 1.0
   72    75    76    77   0.00000  1.0 1.0
   73    72    75    76   0.00000  1.0 1.0
   74    72    75    76   0.00000  1.0 1.0
   44    42    43    46   1.00100  1.0 1.0
   44    42    43    46   0.85050 -1.0 2.0
   44    42    43    64   1.00100  1.0 1.0
   44    42    43    64   0.85050 -1.0 2.0
   44    48    51    52  -0.11250  1.0 3.0
   44    48    51    53  -0.11250  1.0 3.0
   44    48    51    55  -0.95700  1.0 1.0
   44    48    51    55  -0.18200 -1.0 2.0
   44    48    51    55   0.29450  1.0 3.0
   45    44    48    33   0.30150 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    51   0.30150 -1.0 2.0
   48    33    37    38   0.30150 -1.0 2.0
   48    33   -37    42   1.39750  1.0 1.0
   48    33   -37    42  -0.07950 -1.0 2.0
   48    33   -37    42  -0.18750  1.0 3.0
   48    33    39    61   0.56750  1.0 1.0
   48    33    39    61  -0.07550 -1.0 2.0
   48    33    39    61   0.20000  1.0 3.0
   48    33    39    40   0.15000  1.0 3.0
   48    33    39    41   0.15000  1.0 3.0
   48    51    55    56   0.15000  1.0 3.0
   48    51    55    57   0.15000  1.0 3.0
   48    51   -55    61   0.56750  1.0 1.0
   48    51   -55    61  -0.07550 -1.0 2.0
   48    51   -55    61   0.20000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    55   0.15000  1.0 3.0
   51    55    61    62   0.15000  1.0 3.0
   51    55    61    63   0.15000  1.0 3.0
   51    55    61    39   0.56750  1.0 1.0
   51    55    61    39  -0.07550 -1.0 2.0
   51    55    61    39   0.20000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    61   0.15000  1.0 3.0
   53    51    55    56   0.15000  1.0 3.0
   53    51    55    57   0.15000  1.0 3.0
   53    51    55    61   0.15000  1.0 3.0
   55    61   -39    33   0.56750  1.0 1.0
   55    61   -39    33  -0.07550 -1.0 2.0
   55    61   -39    33   0.20000  1.0 3.0
   55    61    39    40   0.15000  1.0 3.0
   55    61    39    41   0.15000  1.0 3.0
   56    55    61    62   0.15000  1.0 3.0
   56    55    61    63   0.15000  1.0 3.0
   56    55    61    39   0.15000  1.0 3.0
   57    55    61    62   0.15000  1.0 3.0
   57    55    61    63   0.15000  1.0 3.0
   57    55    61    39   0.15000  1.0 3.0
   62    61    39    33   0.15000  1.0 3.0
   62    61    39    40   0.15000  1.0 3.0
   62    61    39    41   0.15000  1.0 3.0
   63    61    39    33   0.15000  1.0 3.0
   63    61    39    40   0.15000  1.0 3.0
   63    61    39    41   0.15000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   1.39750  1.0 1.0
   39    33    37    42  -0.07950 -1.0 2.0
   39    33    37    42  -0.18750  1.0 3.0
   39    33    48    44  -0.95700  1.0 1.0
   39    33    48    44  -0.18200 -1.0 2.0
   39    33    48    44   0.29450  1.0 3.0
   39    33    48    49   0.15000  1.0 3.0
   39    33   -48    51   0.56750  1.0 1.0
   39    33   -48    51  -0.07550 -1.0 2.0
   39    33   -48    51   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
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   44    37    42    43   1.00000 -1.0 2.0
   46    64    43    42   4.00000 -1.0 2.0
   50    47    46    43   1.10000 -1.0 2.0
   54    71    50    46   4.00000 -1.0 2.0
   58    60    54    50   4.00000 -1.0 2.0
   64    59    58    54   1.10000 -1.0 2.0
   58    65    64    43   4.00000 -1.0 2.0
   66    71    69    70  10.50000 -1.0 2.0
   72    69    71    50   1.00000 -1.0 2.0
   42    48    44    45  10.50000 -1.0 2.0
END
