* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    159    265     482
    1     0 S   NP   _N1_     1    29.28615    92.79929   -26.25613
    2     1 S   H    _HN1     2     1.02773   112.34875  -116.27669
    3     1 S   H    _H1_     3     1.02983    99.70641    -1.81251
    4     1 S   H    _H2_     4     1.02828     7.52126  -171.40767
    5     1 S   CT   _CA1     5     1.50137   113.15075   115.38498
    6     5 S   HC   _HA1     6     1.09574   105.29703    67.18866
    7     5 S   CO3  _C1_     7     1.53803   112.27248   -53.02351
    8     7 S   O2Z  _O11     8     1.26352   115.04884   -46.27205
    9     7 S   O2Z  _O12     9     1.26241   114.90484   132.84899
   10     5 S   CT   _CB1    10     1.53024   107.29381  -175.00437
   11    10 S   HC   HB11    11     1.09833   109.38849   -52.23885
   12    10 S   HC   HB12    12     1.09688   110.21999    64.04999
   13    10 S   CT   _CG1    13     1.52985   112.89029  -173.42299
   14    13 S   HC   HG11    14     1.09591   110.56963   -61.79506
   15    13 S   HC   HG12    15     1.09635   109.96262    57.53421
   16    13 S   C    _CD1    16     1.51762   112.12698   178.11301
   17    16 S   O    _OE1    17     1.22770   123.25369     0.97759
   18    16 S   N    _N2_    18     1.38615   111.83733  -179.52235
   19    18 S   H    _HN2    19     1.01564   119.23803     5.33458
   20    18 S   CT1  _CA2    20     1.45644   122.57979   179.53396
   21    20 S   HC   _HA2    21     1.09621   108.82401    21.24234
   22    20 S   C    _C2_    22     1.52921   107.31145   -95.23240
   23    22 S   O    _O2_    23     1.22961   123.06823   -25.71796
   24    20 S   CT   _CB2    32     1.53245   112.68592   144.32878
   25    24 S   HC   HB21    33     1.09654   109.92992    66.03684
   26    24 S   HC   HB22    34     1.09591   110.36340  -176.98897
   27    22 S   N    _N3_    24     1.38495   112.49909   156.95393
   28    27 S   H    _HN3    25     1.01647   120.39366    -2.27409
   29    24 S   S    _SG2    35     1.82962   115.44748   -54.39802
   30    27 S   CT   _CA3    26     1.45352   122.53017   178.63628
   31    30 S   HC   HA31    27     1.09564   107.80773   -56.08413
   32    30 S   HC   HA32    28     1.09560   107.63320    60.27743
   33    29 S   CT   _C22    36     1.82604   100.21962   -52.04133
   34    33 S   HC   _H26    37     1.08761   109.20753   -42.05222
   35    33 S   HC   _H27    38     1.09206   105.91991    72.57598
   36    30 S   CO3  _C3_    29     1.52899   114.25078  -177.97648
   37    36 S   O2Z  _O31    30     1.26346   116.03487    -0.20174
   38    36 S   O2Z  _O32    31     1.26429   114.42401   179.76761
   39    33 S   CT   _C7_    39     1.54575   112.74899  -167.36672
   40    39 S   HC   _H3_    40     1.09927   106.28867   -52.24539
   41    39 S   CT   _C6_    41     1.56249   114.88737    63.33354
   42    41 S   HC   _H11    42     1.09964   106.37591  -159.88612
   43    41 S   HC   _H12    43     1.09531   111.41311   -46.15995
   44    41 S   CT   _C5_    44     1.54141   115.11605    80.44175
   45    44 S   CT   _C18    45     1.54128   108.84085    50.34974
   46    45 S   HC   _H6_    46     1.10366   108.37870    57.87725
   47    44 S   CT   _C4_    78     1.55044   110.86891   -76.90731
   48    47 S   HC   _H8_    79     1.09568   112.43781  -161.56575
   49    47 S   HC   _H9_    80     1.08920   113.34950    79.08631
   50    47 S   HC   _H10    81     1.09585   110.84631   -42.59691
   51    45 S   CT   _C19    47     1.52392   103.26892   169.06418
   52    51 S   HC   _H20    48     1.09454   112.31315  -157.85601
   53    51 S   HC   _H21    49     1.09560   111.53783    80.96619
   54    45 S   CT   _C17    57     1.53000   112.38851   -59.16140
   55    54 S   HC   _H5_    58     1.09579   110.30560   -54.84357
   56    51 S   CT   _C20    50     1.54244   103.30997   -37.84590
   57    56 S   HC   _H22    51     1.09554   110.97201   133.36638
   58    56 S   HC   _H23    52     1.09592   110.60957  -108.09487
   59    54 S   CT   _C16    59     1.52873   112.56878  -174.29089
   60    59 S   HC   _H18    60     1.09573   110.91899    56.50072
   61    59 S   HC   _H19    61     1.09762   110.25876   -62.01974
   62    39 S   CT   _C8_    74     1.57269   112.28062  -168.77754
   63    62 S   HC   _H4_    75     1.10256   105.50856   167.36313
   64    44 S   CT   _C21    53     1.54626   114.43349   159.57470
   65    64 S   HC   _H7_    54     1.09739   110.70930   -39.65407
   66    59 S   CT   _C15    62     1.52575   109.50105   176.59061
   67    66 S   HC   _H16    63     1.09719   109.70210   -69.26242
   68    66 S   HC   _H17    64     1.09677   108.40705   173.58821
   69    64 S   OH   _O33    55     1.41484   112.95738    81.39602
   70    69 S   HO   _H24    56     0.97236   107.45574   174.47540
   71    66 S   CA   _C14    65     1.50762   112.92777    51.62119
   72    71 S   CA   _C13    66     1.40590   118.18011   160.64382
   73    72 S   HA   _H15    67     1.08733   119.67621     0.62307
   74    72 S   CA   _C12    68     1.39164   120.26395  -178.71093
   75    74 S   CA   _C11    69     1.38679   120.49648     0.38206
   76    75 S   HA   _H14    70     1.08629   120.64289   178.71778
   77    74 S   OH   _O34    76     1.36600   121.18545   179.83929
   78    77 S   HO   _H25    77     0.97235   108.47863     0.03956
   79    75 S   CA   _C10    71     1.39504   119.54585    -1.32500
   80    79 S   HA   _H13    72     1.08653   117.80679   179.35745
   81    71 S   CA   _C9_    73     1.41047   121.89998   -20.67558
  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   7   5   4   3
  12   5   4   2   1   1  16   8  18   6   5  20  23  10   9   3
   2   1  12   6   5  14   7   6   4   3  10   6   5   8   3   3
   2   8   4   3   1   1   8   8   4   7   6   4   2   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    62  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    54    81    62    63  
   35    39    40    41    62  
   39    40    41    62  
   37    38  
   38  
    0  
   40    41    42    43    44    45    64    54    55    59    71    79    81    62    63    47  
   41    42    43    44    54    81    62    63  
   42    43    44    45    46    51    56    64    65    69    54    81    62    63    47    48    49    50  
   43    44    45    64    62    47  
   44    45    64    62    47  
   45    46    51    52    53    56    57    58    64    65    69    70    54    55    59    62    47    48    49    50  
   46    51    52    53    56    57    58    64    65    69    54    55    59    60    61    66    81    62    63    47    48    49    50  
   51    52    53    56    64    54    55    59    62    47  
   48    49    50    51    54    56    64    65    69  
   49    50    64  
   50    64  
   64  
   52    53    56    57    58    64    65    69    54    55    59    62  
   53    56    57    58    64    54  
   56    57    58    64    54  
   55    59    60    61    66    67    68    71    79    81    62    63    56    64  
   59    60    61    66    81    62    63  
   57    58    64    65    69    70  
   58    64    65    69  
   64    65    69  
   60    61    66    67    68    71    72    81    62    63  
   61    66    67    68    71    62  
   66    67    68    71    62  
   63    66    71    72    75    79    80    81  
   71    79    81  
   65    69    70  
   69    70  
   67    68    71    72    73    74    79    81  
   68    71    72    81  
   71    72    81  
   70  
    0  
   72    73    74    75    79    80    81    77  
   73    74    75    76    79    81    77    78  
   74    75    81    77  
   75    76    79    80    81    77    78  
   76    79    80    81    77    78  
   79    80    81    77  
   78    79  
    0  
   80    81  
   81  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    62   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   268.000  1.529
   44    45   268.000  1.529
   44    64   268.000  1.529
   44    47   268.000  1.529
   45    46   340.000  1.090
   45    51   268.000  1.529
   45    54   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    64   268.000  1.529
   64    65   340.000  1.090
   64    69   320.000  1.410
   69    70   553.000  0.945
   54    55   340.000  1.090
   54    59   268.000  1.529
   54    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   317.000  1.510
   71    72   469.000  1.400
   71    81   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   469.000  1.400
   74    77   450.000  1.364
   75    76   367.000  1.080
   75    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    62   317.000  1.510
   62    63   340.000  1.090
   77    78   553.000  0.945
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    62    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    37.50000  110.70000
   39    41    44    58.35000  112.70000
   39    62    54    58.35000  112.70000
   39    62    81    70.00000  112.17500
   39    62    63    37.50000  110.70000
   41    39    40    37.50000  110.70000
   41    44    45    58.35000  112.70000
   41    44    64    58.35000  112.70000
   41    44    47    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    37.50000  110.70000
   44    41    43    37.50000  110.70000
   44    45    46    37.50000  110.70000
   44    45    51    58.35000  112.70000
   44    45    54    58.35000  112.70000
   44    64    56    58.35000  112.70000
   44    64    65    37.50000  110.70000
   44    64    69    50.00000  109.50000
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    37.50000  110.70000
   45    51    52    37.50000  110.70000
   45    51    53    37.50000  110.70000
   45    51    56    58.35000  112.70000
   45    54    55    37.50000  110.70000
   45    54    59    58.35000  112.70000
   45    54    62    58.35000  112.70000
   51    45    46    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    64    58.35000  112.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    64    65    37.50000  110.70000
   56    64    69    50.00000  109.50000
   58    56    57    33.00000  107.80000
   64    44    45    58.35000  112.70000
   64    56    57    37.50000  110.70000
   64    56    58    37.50000  110.70000
   64    69    70    55.00000  108.50000
   69    64    65    35.00000  109.50000
   54    45    46    37.50000  110.70000
   54    45    51    58.35000  112.70000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    66    58.35000  112.70000
   54    62    81    70.00000  112.17500
   54    62    63    37.50000  110.70000
   59    54    55    37.50000  110.70000
   59    66    67    37.50000  110.70000
   59    66    68    37.50000  110.70000
   59    66    71    70.00000  112.17500
   61    59    60    33.00000  107.80000
   66    59    60    37.50000  110.70000
   66    59    61    37.50000  110.70000
   66    71    72    70.00000  120.00000
   66    71    81    70.00000  120.00000
   68    66    67    33.00000  107.80000
   71    66    67    35.00000  109.50000
   71    66    68    35.00000  109.50000
   71    72    73    35.00000  120.00000
   71    72    74    63.00000  120.00000
   71    81    79    63.00000  120.00000
   71    81    62    70.00000  120.00000
   72    74    75    63.00000  120.00000
   72    74    77    70.00000  120.00000
   74    72    73    35.00000  120.00000
   74    75    76    35.00000  120.00000
   74    75    79    63.00000  120.00000
   74    77    78    35.00000  113.00000
   75    79    80    35.00000  120.00000
   75    79    81    63.00000  120.00000
   79    75    76    35.00000  120.00000
   79    81    62    70.00000  120.00000
   81    71    72    63.00000  120.00000
   81    79    80    35.00000  120.00000
   81    62    63    35.00000  109.50000
   62    39    40    37.50000  110.70000
   62    39    41    58.35000  112.70000
   62    54    55    37.50000  110.70000
   62    54    59    58.35000  112.70000
   77    74    75    70.00000  120.00000
   47    44    45    58.35000  112.70000
   47    44    64    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    62   0.44750  1.0 1.0
   29    33    39    62  -0.17800 -1.0 2.0
   29    33    39    62   0.20200  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.15000  1.0 3.0
   33    39    41    44   0.56750  1.0 1.0
   33    39    41    44  -0.07550 -1.0 2.0
   33    39    41    44   0.20000  1.0 3.0
   33    39    62    54   0.56750  1.0 1.0
   33    39    62    54  -0.07550 -1.0 2.0
   33    39    62    54   0.20000  1.0 3.0
   33    39    62    81  -0.03700  1.0 1.0
   33    39    62    81   0.37200 -1.0 2.0
   33    39    62    81  -0.47300  1.0 3.0
   33    39    62    63   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    62   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    62   0.15000  1.0 3.0
   39    41    44    45   0.56750  1.0 1.0
   39    41    44    45  -0.07550 -1.0 2.0
   39    41    44    45   0.20000  1.0 3.0
   39    41    44    64   0.56750  1.0 1.0
   39    41    44    64  -0.07550 -1.0 2.0
   39    41    44    64   0.20000  1.0 3.0
   39    41    44    47   0.56750  1.0 1.0
   39    41    44    47  -0.07550 -1.0 2.0
   39    41    44    47   0.20000  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    44   0.15000  1.0 3.0
   40    39    62    54   0.15000  1.0 3.0
   40    39    62    81   0.43200  1.0 3.0
   40    39    62    63   0.15000  1.0 3.0
   41    39    62    54   0.56750  1.0 1.0
   41    39    62    54  -0.07550 -1.0 2.0
   41    39    62    54   0.20000  1.0 3.0
   41    39    62    81  -0.03700  1.0 1.0
   41    39    62    81   0.37200 -1.0 2.0
   41    39    62    81  -0.47300  1.0 3.0
   41    39    62    63   0.15000  1.0 3.0
   41    44    45    46   0.15000  1.0 3.0
   41    44    45    51   0.56750  1.0 1.0
   41    44    45    51  -0.07550 -1.0 2.0
   41    44    45    51   0.20000  1.0 3.0
   41    44   -45    54   0.56750  1.0 1.0
   41    44   -45    54  -0.07550 -1.0 2.0
   41    44   -45    54   0.20000  1.0 3.0
   41    44    64    56   0.56750  1.0 1.0
   41    44    64    56  -0.07550 -1.0 2.0
   41    44    64    56   0.20000  1.0 3.0
   41    44    64    65   0.15000  1.0 3.0
   41    44    64    69   0.86500  1.0 1.0
   41    44    64    69  -0.17500 -1.0 2.0
   41    44    64    69   0.20800  1.0 3.0
   41    44    47    48   0.15000  1.0 3.0
   41    44    47    49   0.15000  1.0 3.0
   41    44    47    50   0.15000  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    64   0.15000  1.0 3.0
   42    41    44    47   0.15000  1.0 3.0
   43    41    44    45   0.15000  1.0 3.0
   43    41    44    64   0.15000  1.0 3.0
   43    41    44    47   0.15000  1.0 3.0
   44    45    51    52   0.15000  1.0 3.0
   44    45    51    53   0.15000  1.0 3.0
   44    45   -51    56   0.56750  1.0 1.0
   44    45   -51    56  -0.07550 -1.0 2.0
   44    45   -51    56   0.20000  1.0 3.0
   44    45    54    55   0.15000  1.0 3.0
   44    45    54    59   0.56750  1.0 1.0
   44    45    54    59  -0.07550 -1.0 2.0
   44    45    54    59   0.20000  1.0 3.0
   44    45    54    62   0.56750  1.0 1.0
   44    45    54    62  -0.07550 -1.0 2.0
   44    45    54    62   0.20000  1.0 3.0
   44    64    69    70  -0.11600  1.0 1.0
   44    64    69    70  -0.09450 -1.0 2.0
   44    64    69    70   0.21250  1.0 3.0
   45    44   -64    56   0.56750  1.0 1.0
   45    44   -64    56  -0.07550 -1.0 2.0
   45    44   -64    56   0.20000  1.0 3.0
   45    44    64    65   0.15000  1.0 3.0
   45    44    64    69   0.86500  1.0 1.0
   45    44    64    69  -0.17500 -1.0 2.0
   45    44    64    69   0.20800  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    50   0.15000  1.0 3.0
   45    51    56    57   0.15000  1.0 3.0
   45    51    56    58   0.15000  1.0 3.0
   45    51   -56    64   0.56750  1.0 1.0
   45    51   -56    64  -0.07550 -1.0 2.0
   45    51   -56    64   0.20000  1.0 3.0
   45    54    59    60   0.15000  1.0 3.0
   45    54    59    61   0.15000  1.0 3.0
   45    54    59    66   0.56750  1.0 1.0
   45    54    59    66  -0.07550 -1.0 2.0
   45    54    59    66   0.20000  1.0 3.0
   45    54   -62    39   0.56750  1.0 1.0
   45    54   -62    39  -0.07550 -1.0 2.0
   45    54   -62    39   0.20000  1.0 3.0
   45    54    62    81  -0.03700  1.0 1.0
   45    54    62    81   0.37200 -1.0 2.0
   45    54    62    81  -0.47300  1.0 3.0
   45    54    62    63   0.15000  1.0 3.0
   46    45    51    52   0.15000  1.0 3.0
   46    45    51    53   0.15000  1.0 3.0
   46    45    51    56   0.15000  1.0 3.0
   46    45    54    55   0.15000  1.0 3.0
   46    45    54    59   0.15000  1.0 3.0
   46    45    54    62   0.15000  1.0 3.0
   51    45    54    55   0.15000  1.0 3.0
   51    45    54    59   0.56750  1.0 1.0
   51    45    54    59  -0.07550 -1.0 2.0
   51    45    54    59   0.20000  1.0 3.0
   51    45    54    62   0.56750  1.0 1.0
   51    45    54    62  -0.07550 -1.0 2.0
   51    45    54    62   0.20000  1.0 3.0
   51    56   -64    44   0.56750  1.0 1.0
   51    56   -64    44  -0.07550 -1.0 2.0
   51    56   -64    44   0.20000  1.0 3.0
   51    56    64    65   0.15000  1.0 3.0
   51    56    64    69   0.86500  1.0 1.0
   51    56    64    69  -0.17500 -1.0 2.0
   51    56    64    69   0.20800  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    64   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    64   0.15000  1.0 3.0
   56    64    69    70  -0.11600  1.0 1.0
   56    64    69    70  -0.09450 -1.0 2.0
   56    64    69    70   0.21250  1.0 3.0
   57    56    64    44   0.15000  1.0 3.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    69   0.23400  1.0 3.0
   58    56    64    44   0.15000  1.0 3.0
   58    56    64    65   0.15000  1.0 3.0
   58    56    64    69   0.23400  1.0 3.0
   64    44    45    46   0.15000  1.0 3.0
   64    44   -45    51   0.56750  1.0 1.0
   64    44   -45    51  -0.07550 -1.0 2.0
   64    44   -45    51   0.20000  1.0 3.0
   64    44    45    54   0.56750  1.0 1.0
   64    44    45    54  -0.07550 -1.0 2.0
   64    44    45    54   0.20000  1.0 3.0
   64    44    47    48   0.15000  1.0 3.0
   64    44    47    49   0.15000  1.0 3.0
   64    44    47    50   0.15000  1.0 3.0
   65    64    69    70   0.19450  1.0 3.0
   54    45    51    52   0.15000  1.0 3.0
   54    45    51    53   0.15000  1.0 3.0
   54    45    51    56   0.56750  1.0 1.0
   54    45    51    56  -0.07550 -1.0 2.0
   54    45    51    56   0.20000  1.0 3.0
   54    59    66    67   0.15000  1.0 3.0
   54    59    66    68   0.15000  1.0 3.0
   54    59    66    71  -0.03700  1.0 1.0
   54    59    66    71   0.37200 -1.0 2.0
   54    59    66    71  -0.47300  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   55    54    59    66   0.15000  1.0 3.0
   55    54    62    39   0.15000  1.0 3.0
   55    54    62    81   0.43200  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   59    54    62    39   0.56750  1.0 1.0
   59    54    62    39  -0.07550 -1.0 2.0
   59    54    62    39   0.20000  1.0 3.0
   59    54    62    81  -0.03700  1.0 1.0
   59    54    62    81   0.37200 -1.0 2.0
   59    54    62    81  -0.47300  1.0 3.0
   59    54    62    63   0.15000  1.0 3.0
   59    66    71    72   0.04150 -1.0 2.0
   59    66   -71    81   0.04150 -1.0 2.0
   60    59    66    67   0.15000  1.0 3.0
   60    59    66    68   0.15000  1.0 3.0
   60    59    66    71   0.43200  1.0 3.0
   61    59    66    67   0.15000  1.0 3.0
   61    59    66    68   0.15000  1.0 3.0
   61    59    66    71   0.43200  1.0 3.0
   66    71    72    73   3.62500 -1.0 2.0
   66    71    72    74   3.62500 -1.0 2.0
   66    71    81    79   3.62500 -1.0 2.0
   66    71    81    62   3.62500 -1.0 2.0
   67    66    71    72   0.00000  1.0 1.0
   67    66    71    81   0.00000  1.0 1.0
   68    66    71    72   0.00000  1.0 1.0
   68    66    71    81   0.00000  1.0 1.0
   71    72    74    75   3.62500 -1.0 2.0
   71    72    74    77   3.62500 -1.0 2.0
   71    81    62    39   0.04150 -1.0 2.0
   71    81   -62    54   0.04150 -1.0 2.0
   71    81    62    63   0.00000  1.0 1.0
   72    71    81    79   3.62500 -1.0 2.0
   72    71    81    62   3.62500 -1.0 2.0
   72    74    75    76   3.62500 -1.0 2.0
   72    74   -75    79   3.62500 -1.0 2.0
   72    74    77    78   0.84100 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    77   3.62500 -1.0 2.0
   74    75    79    80   3.62500 -1.0 2.0
   74    75    79    81   3.62500 -1.0 2.0
   75    74    77    78   0.84100 -1.0 2.0
   75    79   -81    71   3.62500 -1.0 2.0
   75    79    81    62   3.62500 -1.0 2.0
   76    75    79    80   3.62500 -1.0 2.0
   76    75    79    81   3.62500 -1.0 2.0
   79    81    62    39   0.04150 -1.0 2.0
   79    81    62    54   0.04150 -1.0 2.0
   79    81    62    63   0.00000  1.0 1.0
   80    79    81    71   3.62500 -1.0 2.0
   80    79    81    62   3.62500 -1.0 2.0
   81    71    72    73   3.62500 -1.0 2.0
   81    71   -72    74   3.62500 -1.0 2.0
   62    39    41    42   0.15000  1.0 3.0
   62    39    41    43   0.15000  1.0 3.0
   62    39   -41    44   0.56750  1.0 1.0
   62    39   -41    44  -0.07550 -1.0 2.0
   62    39   -41    44   0.20000  1.0 3.0
   62    54    59    60   0.15000  1.0 3.0
   62    54    59    61   0.15000  1.0 3.0
   62    54   -59    66   0.56750  1.0 1.0
   62    54   -59    66  -0.07550 -1.0 2.0
   62    54   -59    66   0.20000  1.0 3.0
   77    74    75    76   3.62500 -1.0 2.0
   77    74    75    79   3.62500 -1.0 2.0
   47    44    45    46   0.15000  1.0 3.0
   47    44    45    51   0.56750  1.0 1.0
   47    44    45    51  -0.07550 -1.0 2.0
   47    44    45    51   0.20000  1.0 3.0
   47    44    45    54   0.56750  1.0 1.0
   47    44    45    54  -0.07550 -1.0 2.0
   47    44    45    54   0.20000  1.0 3.0
   47    44    64    56   0.56750  1.0 1.0
   47    44    64    56  -0.07550 -1.0 2.0
   47    44    64    56   0.20000  1.0 3.0
   47    44    64    65   0.15000  1.0 3.0
   47    44    64    69   0.86500  1.0 1.0
   47    44    64    69  -0.17500 -1.0 2.0
   47    44    64    69   0.20800  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
   37    30    36    38  10.50000 -1.0 2.0
   72    81    71    66   4.00000 -1.0 2.0
   74    73    72    71   1.10000 -1.0 2.0
   75    77    74    72   4.00000 -1.0 2.0
   79    76    75    74   1.10000 -1.0 2.0
   81    80    79    75   1.10000 -1.0 2.0
   79    62    81    71   4.00000 -1.0 2.0
END
