* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    148    230     434
    1     0 S   NP   _N1_     1    27.98480    96.68283   -22.31863
    2     1 S   H    _HN1     2     1.02957    76.21506    -5.64955
    3     1 S   H    _H1_     3     1.02836    36.25486   142.02782
    4     1 S   H    _H2_     4     1.02776   100.61567  -112.12620
    5     1 S   CT   _CA1     5     1.50135   141.21961    99.85541
    6     5 S   HC   _HA1     6     1.09575   105.20604    84.30429
    7     5 S   CO3  _C1_     7     1.53778   112.36177   -35.86993
    8     7 S   O2Z  _O11     8     1.26366   114.99055   -43.81149
    9     7 S   O2Z  _O12     9     1.26234   114.92901   135.24979
   10     5 S   CT   _CB1    10     1.53094   107.41713  -157.79817
   11    10 S   HC   HB11    11     1.09828   109.30489   -50.51396
   12    10 S   HC   HB12    12     1.09815   110.43862    66.03397
   13    10 S   CT   _CG1    13     1.53023   112.68635  -171.58254
   14    13 S   HC   HG11    14     1.09593   110.50703   -64.94878
   15    13 S   HC   HG12    15     1.09658   109.90266    54.25661
   16    13 S   C    _CD1    16     1.51845   112.29523   174.61104
   17    16 S   O    _OE1    17     1.22757   123.29032     1.37402
   18    16 S   N    _N2_    18     1.38568   111.74159  -178.62243
   19    18 S   H    _HN2    19     1.01565   119.01972     4.23411
   20    18 S   CT1  _CA2    20     1.45808   122.83183   177.59369
   21    20 S   HC   _HA2    21     1.09733   108.93260    24.24560
   22    20 S   C    _C2_    22     1.52937   107.08702   -92.77764
   23    22 S   O    _O2_    23     1.22966   123.07857   -26.15756
   24    20 S   CT   _CB2    32     1.53210   112.27270   147.44009
   25    24 S   HC   HB21    33     1.09477   109.94590    54.01875
   26    24 S   HC   HB22    34     1.09512   110.05742   173.03587
   27    22 S   N    _N3_    24     1.38495   112.49928   156.68236
   28    27 S   H    _HN3    25     1.01651   120.35118    -2.61262
   29    24 S   S    _SG2    35     1.82428   111.11399   -66.71039
   30    27 S   CT   _CA3    26     1.45357   122.55457   178.40603
   31    30 S   HC   HA31    27     1.09567   107.92156   -53.49658
   32    30 S   HC   HA32    28     1.09558   107.53383    62.87933
   33    29 S   CT   _C22    36     1.84367   100.10585  -169.60439
   34    33 S   HC   _H3_    37     1.09736   108.86210    40.69001
   35    30 S   CO3  _C3_    29     1.52905   114.24703  -175.45576
   36    35 S   O2Z  _O31    30     1.26347   116.03227     0.14127
   37    35 S   O2Z  _O32    31     1.26428   114.42507  -179.92598
   38    33 S   CA   _C11    38     1.50739   112.03596   -78.54011
   39    33 S   CM   _C7_    50     1.52586   107.87560   157.68344
   40    38 S   CA   _C12    39     1.39463   120.94678    89.88677
   41    40 S   HA   _H11    40     1.08708   120.60106     1.51323
   42    39 S   CT   _C5_    51     1.53846   113.46966   -88.02082
   43    42 S   HC   _H7_    52     1.09887   107.64025    16.85761
   44    40 S   CA   _C13    41     1.39285   120.38946  -178.06751
   45    44 S   HA   _H12    42     1.08717   117.71021   179.97202
   46    42 S   CT   _C4_    53     1.53282   115.16093   133.32511
   47    46 S   HC   _H4_    54     1.09400   112.54728    75.04425
   48    46 S   HC   _H5_    55     1.09528   111.17116   -47.04284
   49    46 S   HC   _H6_    56     1.09613   110.00218  -166.01284
   50    42 S   CT   _C6_    57     1.53068   111.01761   -99.55315
   51    50 S   HC   _H8_    58     1.09516   111.78053   -66.43102
   52    50 S   HC   _H9_    59     1.09548   110.56205   173.60904
   53    50 S   HC   _H10    60     1.09562   111.05632    54.18707
   54    44 S   CA   _C14    43     1.40841   121.59197    -0.61580
   55    54 S   CA   _C15    44     1.41693   118.48714    -1.90680
   56    38 S   CA   _C10    45     1.39864   120.04728   -89.79093
   57    55 S   CT   _C16    61     1.51321   120.65192  -177.16393
   58    57 S   HC   _H13    62     1.09620   110.08030   138.06693
   59    57 S   HC   _H14    63     1.09717   108.12793  -103.91270
   60    56 S   CO4  _C9_    46     1.48618   115.90989    -0.62807
   61    60 S   O    _O33    47     1.22736   120.28062   145.38405
   62    57 S   CT   _C17    64     1.52187   114.28711    17.48672
   63    62 S   HC   _H15    65     1.09577   110.34682    73.78227
   64    62 S   HC   _H16    66     1.09614   109.42906  -169.17316
   65    60 S   CMA  _C8_    48     1.51996   117.51038   -34.84950
   66    65 S   OM   _O34    49     1.26239   113.86559  -144.63653
   67    62 S   CT   _C18    67     1.51770   109.61093   -48.43056
   68    67 S   HC   _H17    68     1.09731   109.58953  -173.99560
   69    67 S   HC   _H18    69     1.09906   108.43955   -58.45880
   70    54 S   CT   _C19    70     1.53666   119.25142  -179.67016
   71    70 S   CT   _C20    71     1.54515   108.88529    69.41411
   72    71 S   HC   _H19    72     1.09602   111.12771   176.28448
   73    71 S   HC   _H20    73     1.09547   111.93753    55.64490
   74    71 S   HC   _H21    74     1.09633   111.63649   -64.15082
   75    70 S   CT   _C21    75     1.54673   111.47385   -50.10998
   76    75 S   HC   _H22    76     1.09654   110.92790  -174.69024
   77    75 S   HC   _H23    77     1.09511   112.49310    65.79284
   78    75 S   HC   _H24    78     1.09645   111.16173   -54.80364
  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
  15   6   2   1   1  13  16   8   4  12   9   9   3   8   3   2
   1   4   2   1   1  19  14   9  10   5   4   3   2   8   5   4
   1   1  11   4   3   8   7   3   2   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    56    65    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    44    55    56    60    65    66    39    42    43    46    50  
   38    40    56    65    39    42  
   36    37  
   37  
    0  
   40    41    44    45    54    55    56    60    61    65    39    42    57  
   42    43    46    47    48    49    50    51    52    53    40    56    60    61    65    66  
   41    44    45    54    55    56    60    70  
   44    45    54    56  
   43    46    47    48    49    50    51    52    53    60    65    66  
   46    47    48    49    50    51    52    53    65  
   45    54    55    56    57    67    70    71    75  
   54    55    70  
   47    48    49    50    51    52    53    65  
   48    49    50  
   49    50  
   50  
   51    52    53    65  
   52    53  
   53  
    0  
   55    56    60    57    58    59    62    67    68    69    70    71    72    73    74    75    76    77    78  
   56    60    61    65    57    58    59    62    63    64    67    70    71    75  
   60    61    65    66    57    58    59    62    70  
   58    59    62    63    64    67    68    69    70    60  
   59    62    63    64    67  
   62    63    64    67  
   61    65    66  
   65    66  
   63    64    67    68    69    70    71    75  
   64    67    68    69    70  
   67    68    69    70  
   66  
    0  
   68    69    70    71    72    73    74    75    76    77    78  
   69    70    71    75  
   70    71    75  
   71    72    73    74    75    76    77    78  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   66   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   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   317.000  1.510
   33    39   317.000  1.510
   38    40   469.000  1.400
   38    56   469.000  1.400
   40    41   367.000  1.080
   40    44   469.000  1.400
   44    45   367.000  1.080
   44    54   469.000  1.400
   54    55   469.000  1.400
   54    70   317.000  1.510
   55    56   469.000  1.400
   55    57   317.000  1.510
   56    60   310.000  1.470
   60    61   570.000  1.229
   60    65   270.000  1.476
   65    66   745.000  1.250
   65    39   465.000  1.376
   39    42   317.000  1.510
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    50   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   268.000  1.529
   70    75   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    40    70.00000  120.00000
   33    38    56    70.00000  120.00000
   33    39    65    70.00000  124.00000
   33    39    42    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    44    63.00000  120.00000
   38    56    55    63.00000  120.00000
   38    56    60    60.00000  119.52600
   40    44    45    35.00000  120.00000
   40    44    54    63.00000  120.00000
   44    40    41    35.00000  120.00000
   44    54    55    63.00000  120.00000
   44    54    70    70.00000  120.00000
   54    44    45    35.00000  120.00000
   54    55    56    63.00000  120.00000
   54    55    57    70.00000  120.00000
   54    70    67    70.00000  112.17500
   54    70    71    70.00000  112.17500
   54    70    75    70.00000  112.17500
   55    56    60    60.00000  119.52600
   55    57    58    35.00000  109.50000
   55    57    59    35.00000  109.50000
   55    57    62    70.00000  112.17500
   56    38    40    63.00000  120.00000
   56    60    61    75.00000  123.78400
   56    60    65    60.00000  117.44000
   60    65    66    85.00000  116.28000
   60    65    39    65.00000  114.61000
   65    60    61    80.00000  120.81000
   65    39    42    70.00000  124.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    65    66    65.00000  137.10300
   39    42    43    35.00000  109.50000
   39    42    46    70.00000  112.02700
   39    42    50    70.00000  112.02700
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   42    50    51    37.50000  110.70000
   42    50    52    37.50000  110.70000
   42    50    53    37.50000  110.70000
   46    42    43    37.50000  110.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   50    42    43    37.50000  110.70000
   50    42    46    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   57    55    56    70.00000  120.00000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    67    58.35000  112.70000
   59    57    58    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    70    58.35000  112.70000
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    70    71    58.35000  112.70000
   67    70    75    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    54    55    70.00000  120.00000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    71    72    37.50000  110.70000
   70    71    73    37.50000  110.70000
   70    71    74    37.50000  110.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    78    37.50000  110.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    70    71    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    38    56  -0.16000  1.0 1.0
   29    33    38    56  -0.03200 -1.0 2.0
   29    33    38    56   0.04500  1.0 3.0
   29    33    39    65   0.42700  1.0 1.0
   29    33    39    65  -0.70350 -1.0 2.0
   29    33    39    65  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    38    40    41   3.62500 -1.0 2.0
   33    38    40    44   3.62500 -1.0 2.0
   33    38    56    55   3.62500 -1.0 2.0
   33    38    56    60   3.62500 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    46   0.46850  1.0 1.0
   33    39    42    46   0.08550 -1.0 2.0
   33    39    42    46   0.09800  1.0 3.0
   33    39    42    50   0.46850  1.0 1.0
   33    39    42    50   0.08550 -1.0 2.0
   33    39    42    50   0.09800  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    65   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   38    33    39    65   1.44450  1.0 1.0
   38    33    39    65   0.06600 -1.0 2.0
   38    33    39    65   0.29250  1.0 3.0
   38    33    39    42   0.09700  1.0 1.0
   38    33    39    42   0.15600 -1.0 2.0
   38    33    39    42  -0.50800  1.0 3.0
   38    40    44    45   3.62500 -1.0 2.0
   38    40    44    54   3.62500 -1.0 2.0
   38    56    60    61   1.05000 -1.0 2.0
   38    56   -60    65  -0.11500  1.0 1.0
   38    56   -60    65   1.10450 -1.0 2.0
   38    56   -60    65  -0.48050  1.0 3.0
   40    38    56    55   3.62500 -1.0 2.0
   40    38    56    60   3.62500 -1.0 2.0
   40    44   -54    55   3.62500 -1.0 2.0
   40    44    54    70   3.62500 -1.0 2.0
   41    40    44    45   3.62500 -1.0 2.0
   41    40    44    54   3.62500 -1.0 2.0
   44    54    55    56   3.62500 -1.0 2.0
   44    54    55    57   3.62500 -1.0 2.0
   44    54    70    67   0.04150 -1.0 2.0
   44    54    70    71   0.04150 -1.0 2.0
   44    54    70    75   0.04150 -1.0 2.0
   45    44    54    55   3.62500 -1.0 2.0
   45    44    54    70   3.62500 -1.0 2.0
   54    55   -56    38   3.62500 -1.0 2.0
   54    55    56    60   3.62500 -1.0 2.0
   54    55    57    58   0.00000  1.0 1.0
   54    55    57    59   0.00000  1.0 1.0
   54    55    57    62   0.04150 -1.0 2.0
   54    70    71    72   0.43200  1.0 3.0
   54    70    71    73   0.43200  1.0 3.0
   54    70    71    74   0.43200  1.0 3.0
   54    70    75    76   0.43200  1.0 3.0
   54    70    75    77   0.43200  1.0 3.0
   54    70    75    78   0.43200  1.0 3.0
   55    54    70    67   0.04150 -1.0 2.0
   55    54    70    71   0.04150 -1.0 2.0
   55    54    70    75   0.04150 -1.0 2.0
   55    56    60    61   1.05000 -1.0 2.0
   55    56    60    65  -0.11500  1.0 1.0
   55    56    60    65   1.10450 -1.0 2.0
   55    56    60    65  -0.48050  1.0 3.0
   55    57    62    63   0.43200  1.0 3.0
   55    57    62    64   0.43200  1.0 3.0
   55    57   -62    67  -0.03700  1.0 1.0
   55    57   -62    67   0.37200 -1.0 2.0
   55    57   -62    67  -0.47300  1.0 3.0
   56    38    40    41   3.62500 -1.0 2.0
   56    38   -40    44   3.62500 -1.0 2.0
   56    55    57    58   0.00000  1.0 1.0
   56    55    57    59   0.00000  1.0 1.0
   56    55    57    62   0.04150 -1.0 2.0
   56    60    65    66   1.50000 -1.0 2.0
   56    60    65    39  -1.65800  1.0 1.0
   56    60    65    39   0.77650 -1.0 2.0
   60    65   -39    33   7.00000 -1.0 2.0
   60    65    39    42   7.00000 -1.0 2.0
   61    60    65    66  -0.11900  1.0 1.0
   61    60    65    66   0.76850 -1.0 2.0
   61    60    65    66   0.14100  1.0 3.0
   61    60    65    39   1.00000 -1.0 2.0
   65    39    42    43   0.00000  1.0 1.0
   65    39    42    46   0.09850  1.0 1.0
   65    39    42    46   0.15250 -1.0 2.0
   65    39    42    46  -0.50650  1.0 3.0
   65    39    42    50   0.09850  1.0 1.0
   65    39    42    50   0.15250 -1.0 2.0
   65    39    42    50  -0.50650  1.0 3.0
   66    65    39    33   7.00000 -1.0 2.0
   66    65    39    42   7.00000 -1.0 2.0
   39    33    38    40   0.18050 -1.0 2.0
   39    33   -38    56   0.18050 -1.0 2.0
   39    42    46    47   0.15000  1.0 3.0
   39    42    46    48   0.15000  1.0 3.0
   39    42    46    49   0.15000  1.0 3.0
   39    42    50    51   0.15000  1.0 3.0
   39    42    50    52   0.15000  1.0 3.0
   39    42    50    53   0.15000  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   43    42    50    51   0.15000  1.0 3.0
   43    42    50    52   0.15000  1.0 3.0
   43    42    50    53   0.15000  1.0 3.0
   46    42    50    51   0.15000  1.0 3.0
   46    42    50    52   0.15000  1.0 3.0
   46    42    50    53   0.15000  1.0 3.0
   50    42    46    47   0.15000  1.0 3.0
   50    42    46    48   0.15000  1.0 3.0
   50    42    46    49   0.15000  1.0 3.0
   57    55    56    38   3.62500 -1.0 2.0
   57    55    56    60   3.62500 -1.0 2.0
   57    62    67    68   0.15000  1.0 3.0
   57    62    67    69   0.15000  1.0 3.0
   57    62    67    70   0.56750  1.0 1.0
   57    62    67    70  -0.07550 -1.0 2.0
   57    62    67    70   0.20000  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    67   0.15000  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    64   0.15000  1.0 3.0
   59    57    62    67   0.15000  1.0 3.0
   62    67   -70    54  -0.03700  1.0 1.0
   62    67   -70    54   0.37200 -1.0 2.0
   62    67   -70    54  -0.47300  1.0 3.0
   62    67    70    71   0.56750  1.0 1.0
   62    67    70    71  -0.07550 -1.0 2.0
   62    67    70    71   0.20000  1.0 3.0
   62    67    70    75   0.56750  1.0 1.0
   62    67    70    75  -0.07550 -1.0 2.0
   62    67    70    75   0.20000  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    70   0.15000  1.0 3.0
   64    62    67    68   0.15000  1.0 3.0
   64    62    67    69   0.15000  1.0 3.0
   64    62    67    70   0.15000  1.0 3.0
   67    70    71    72   0.15000  1.0 3.0
   67    70    71    73   0.15000  1.0 3.0
   67    70    71    74   0.15000  1.0 3.0
   67    70    75    76   0.15000  1.0 3.0
   67    70    75    77   0.15000  1.0 3.0
   67    70    75    78   0.15000  1.0 3.0
   68    67    70    54   0.43200  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    75   0.15000  1.0 3.0
   69    67    70    54   0.43200  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   69    67    70    75   0.15000  1.0 3.0
   70    54    55    56   3.62500 -1.0 2.0
   70    54   -55    57   3.62500 -1.0 2.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    78   0.15000  1.0 3.0
   75    70    71    72   0.15000  1.0 3.0
   75    70    71    73   0.15000  1.0 3.0
   75    70    71    74   0.15000  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
   40    56    38    33   4.00000 -1.0 2.0
   44    41    40    38   1.10000 -1.0 2.0
   54    45    44    40   1.10000 -1.0 2.0
   55    70    54    44   4.00000 -1.0 2.0
   56    57    55    54   4.00000 -1.0 2.0
   55    60    56    38   4.00000 -1.0 2.0
   56    65    60    61  10.50000 -1.0 2.0
   60    66    65    39   1.10000 -1.0 2.0
   33    42    39    65   1.10000 -1.0 2.0
END
