* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    163    272     497
    1     0 S   NP   _N1_     1    28.98474    97.17318   -22.23217
    2     1 S   H    _HN1     2     1.02827    45.03663   167.08121
    3     1 S   H    _H1_     3     1.02792   102.19016   -89.71231
    4     1 S   H    _H2_     4     1.02948    66.71278    15.26105
    5     1 S   CT   _CA1     5     1.50108   143.86655   108.38177
    6     5 S   HC   _HA1     6     1.09571   105.17718    99.49590
    7     5 S   CO3  _C1_     7     1.53729   112.53537   -20.74598
    8     7 S   O2Z  _O11     8     1.26362   114.96062   -41.21542
    9     7 S   O2Z  _O12     9     1.26234   114.96851   137.92731
   10     5 S   CT   _CB1    10     1.53061   107.42543  -142.47358
   11    10 S   HC   HB11    11     1.09837   109.32923   -49.45767
   12    10 S   HC   HB12    12     1.09812   110.48629    67.16918
   13    10 S   CT   _CG1    13     1.52980   112.59301  -170.40454
   14    13 S   HC   HG11    14     1.09502   110.65532   -68.12466
   15    13 S   HC   HG12    15     1.09665   109.71358    51.09077
   16    13 S   C    _CD1    16     1.51771   112.03552   171.71362
   17    16 S   O    _OE1    17     1.22739   123.17886    13.98496
   18    16 S   N    _N2_    18     1.38611   111.78993  -166.28333
   19    18 S   H    _HN2    19     1.01573   118.93418     1.18184
   20    18 S   CT1  _CA2    20     1.46230   123.40553   176.21576
   21    20 S   HC   _HA2    21     1.09733   109.39910     3.68977
   22    20 S   C    _C2_    22     1.53574   108.52442  -111.74232
   23    22 S   O    _O2_    23     1.23054   122.28929  -147.85856
   24    20 S   CT   _CB2    32     1.53208   111.48219   125.85305
   25    24 S   HC   HB21    33     1.09502   110.15743    57.22094
   26    24 S   HC   HB22    34     1.09529   110.52822   175.28665
   27    22 S   N    _N3_    24     1.38329   113.69893    39.55503
   28    27 S   H    _HN3    25     1.01571   119.57752    -3.15840
   29    24 S   S    _SG2    35     1.82845   111.39402   -66.06709
   30    27 S   CT   _CA3    26     1.45280   123.29265   177.25476
   31    30 S   HC   HA31    27     1.09546   107.50259   -65.07844
   32    30 S   HC   HA32    28     1.09555   108.01194    51.38629
   33    29 S   CT   _C13    36     1.83868   100.08281   135.52164
   34    33 S   HC   _H6_    37     1.09614   106.83732    44.77677
   35    30 S   CO3  _C3_    29     1.52977   114.02105   173.38820
   36    35 S   O2Z  _O31    30     1.26386   116.06358    -0.64559
   37    35 S   O2Z  _O32    31     1.26422   114.42419   179.41449
   38    33 S   CT   _C12    38     1.53224   109.89278   161.67569
   39    38 S   HC   _H20    39     1.09722   110.87406   -50.94419
   40    38 S   HC   _H21    40     1.09856   108.15723  -166.51197
   41    38 S   CT   _C11    41     1.53092   113.98391    73.42876
   42    41 S   HC   _H18    42     1.09518   107.31620   174.71220
   43    41 S   HC   _H19    43     1.09643   110.19296   -69.52323
   44    41 S   CT   _C10    44     1.53941   112.21603    53.35471
   45    44 S   HC   _H5_    45     1.10005   107.35836    63.28041
   46    44 S   CT   _C15    46     1.54749   110.06162   -54.24266
   47    46 S   HC   _H7_    47     1.09859   108.38957   -64.10361
   48    46 S   CT   _C16    48     1.53341   111.09452   178.23110
   49    48 S   HC   _H24    49     1.09737   110.09258   -65.05708
   50    48 S   HC   _H25    50     1.09656   109.99635   177.51265
   51    33 S   CT   _C14    77     1.53385   112.15564   -75.10075
   52    51 S   HC   _H22    78     1.09886   108.01276   168.52153
   53    51 S   HC   _H23    79     1.09617   110.89947    53.16980
   54    48 S   CT   _C17    51     1.52439   111.27136    56.43594
   55    54 S   HC   _H26    52     1.09646   108.90666    65.66957
   56    54 S   HC   _H27    53     1.09641   109.14310  -177.81753
   57    54 S   CT   _C18    54     1.53392   111.35639   -56.16308
   58    57 S   HC   _H8_    55     1.10090   107.08921   -60.09576
   59    57 S   CT   _C19    56     1.53805   111.61212  -175.75721
   60    59 S   HC   _H9_    57     1.10034   107.75305    65.31985
   61    44 S   CT   _C9_    75     1.55615   112.87084  -178.01969
   62    61 S   HC   _H4_    76     1.09881   107.64456    61.38131
   63    59 S   CT   _C20    58     1.53262   116.52807   -55.15138
   64    63 S   HC   _H28    59     1.09461   111.41290    83.44153
   65    63 S   HC   _H29    60     1.09523   112.00013   -36.76807
   66    63 S   CT   _C4_    61     1.53058   105.49887  -155.89619
   67    66 S   HC   _H10    62     1.09516   111.45091  -112.21053
   68    66 S   HC   _H11    63     1.09571   110.06284   128.85700
   69    66 S   CT   _C5_    64     1.52868   106.50556     8.65646
   70    69 S   HC   _H12    65     1.09454   112.14389   140.41210
   71    69 S   HC   _H13    66     1.09715   109.11134  -100.67784
   72    59 S   CT   _C6_    67     1.53152   113.32704  -175.18253
   73    72 S   HC   _H3_    68     1.09678   110.43729   -74.33585
   74    72 S   CT   _C7_    69     1.53068   112.84604    47.59217
   75    74 S   HC   _H14    70     1.09678   109.36161  -173.29955
   76    74 S   HC   _H15    71     1.09719   110.92473    69.92796
   77    74 S   CT   _C8_    72     1.52558   111.97433   -51.87215
   78    77 S   HC   _H16    73     1.09474   107.55120   178.71625
   79    77 S   HC   _H17    74     1.09709   109.63332   -65.19906
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  14   8   2   1   1  12   6   5  12   5   4  19   8  14   8  12
   6   5   4   1   1  11   5   4  16   7  18   9   9   4  11   6
   5   8   5   4   8   4   3   7   4   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    51    52    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    46    47    48    51    52    53  
   38    39    40    41    46    51    52    53  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    61    51    52    53  
   40    41    42    43    44    51  
   41    42    43    44    51  
   42    43    44    45    46    47    48    57    77    61    62    51  
   43    44    45    46    61  
   44    45    46    61  
   45    46    47    48    49    50    54    57    58    59    74    77    78    79    61    62    51    52    53  
   46    47    48    57    77    61    62    51  
   47    48    49    50    54    55    56    57    77    61    62    51    52    53  
   48    49    50    54    61    51    52    53  
   49    50    54    55    56    57    58    59    61    51    52    53  
   50    54    55    56    57    51  
   54    55    56    57    51  
   52    53    54    61  
   53  
    0  
   55    56    57    58    59    60    63    72    77    61    62  
   56    57    58    59    61  
   57    58    59    61  
   58    59    60    63    64    65    66    69    72    73    74    77    78    79    61    62  
   59    60    63    72    77    61    62  
   60    63    64    65    66    67    68    69    70    71    72    73    74    75    76    77    61    62  
   63    64    65    66    69    72    73    74    61  
   62    63    72    74    75    76    77    78    79  
   74    77    78    79  
   64    65    66    67    68    69    70    71    72    73    74  
   65    66    67    68    69    72  
   66    67    68    69    72  
   67    68    69    70    71    72    73    74  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72    73    74    75    76    77  
   71    72    73    74  
   72    73    74  
   73    74    75    76    77    78    79  
   74    75    76    77  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   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   268.000  1.529
   33    51   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   268.000  1.529
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    61   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    51   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   268.000  1.529
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    61   268.000  1.529
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    72   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    61   268.000  1.529
   61    62   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    51    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    51    46    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    53    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    44    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    44    45    37.50000  110.70000
   41    44    46    58.35000  112.70000
   41    44    61    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    46    47    37.50000  110.70000
   44    46    48    58.35000  112.70000
   44    46    51    58.35000  112.70000
   44    61    57    58.35000  112.70000
   44    61    77    58.35000  112.70000
   44    61    62    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    54    58.35000  112.70000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   48    46    47    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    57    58.35000  112.70000
   50    48    49    33.00000  107.80000
   54    48    49    37.50000  110.70000
   54    48    50    37.50000  110.70000
   54    57    58    37.50000  110.70000
   54    57    59    58.35000  112.70000
   54    57    61    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    37.50000  110.70000
   57    54    56    37.50000  110.70000
   57    59    60    37.50000  110.70000
   57    59    63    58.35000  112.70000
   57    59    72    58.35000  112.70000
   57    61    77    58.35000  112.70000
   57    61    62    37.50000  110.70000
   59    57    58    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    66    58.35000  112.70000
   59    72    69    58.35000  112.70000
   59    72    73    37.50000  110.70000
   59    72    74    58.35000  112.70000
   63    59    60    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    59    60    37.50000  110.70000
   72    59    63    58.35000  112.70000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    74    75    37.50000  110.70000
   72    74    76    37.50000  110.70000
   72    74    77    58.35000  112.70000
   74    72    73    37.50000  110.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    61    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    61    62    37.50000  110.70000
   79    77    78    33.00000  107.80000
   61    44    45    37.50000  110.70000
   61    44    46    58.35000  112.70000
   61    57    58    37.50000  110.70000
   61    57    59    58.35000  112.70000
   61    77    78    37.50000  110.70000
   61    77    79    37.50000  110.70000
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    46    47    37.50000  110.70000
   51    46    48    58.35000  112.70000
   53    51    52    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    51    46   0.44750  1.0 1.0
   29    33    51    46  -0.17800 -1.0 2.0
   29    33    51    46   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    53   0.15000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    44   0.56750  1.0 1.0
   33    38    41    44  -0.07550 -1.0 2.0
   33    38    41    44   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    51    46   0.15000  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    53   0.15000  1.0 3.0
   38    33    51    46   0.56750  1.0 1.0
   38    33    51    46  -0.07550 -1.0 2.0
   38    33    51    46   0.20000  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    53   0.15000  1.0 3.0
   38    41    44    45   0.15000  1.0 3.0
   38    41   -44    46   0.56750  1.0 1.0
   38    41   -44    46  -0.07550 -1.0 2.0
   38    41   -44    46   0.20000  1.0 3.0
   38    41    44    61   0.56750  1.0 1.0
   38    41    44    61  -0.07550 -1.0 2.0
   38    41    44    61   0.20000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    44   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   41    44    46    47   0.15000  1.0 3.0
   41    44    46    48   0.56750  1.0 1.0
   41    44    46    48  -0.07550 -1.0 2.0
   41    44    46    48   0.20000  1.0 3.0
   41    44    46    51   0.56750  1.0 1.0
   41    44    46    51  -0.07550 -1.0 2.0
   41    44    46    51   0.20000  1.0 3.0
   41    44    61    57   0.56750  1.0 1.0
   41    44    61    57  -0.07550 -1.0 2.0
   41    44    61    57   0.20000  1.0 3.0
   41    44    61    77   0.56750  1.0 1.0
   41    44    61    77  -0.07550 -1.0 2.0
   41    44    61    77   0.20000  1.0 3.0
   41    44    61    62   0.15000  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    46   0.15000  1.0 3.0
   42    41    44    61   0.15000  1.0 3.0
   43    41    44    45   0.15000  1.0 3.0
   43    41    44    46   0.15000  1.0 3.0
   43    41    44    61   0.15000  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    50   0.15000  1.0 3.0
   44    46    48    54   0.56750  1.0 1.0
   44    46    48    54  -0.07550 -1.0 2.0
   44    46    48    54   0.20000  1.0 3.0
   44    46   -51    33   0.56750  1.0 1.0
   44    46   -51    33  -0.07550 -1.0 2.0
   44    46   -51    33   0.20000  1.0 3.0
   44    46    51    52   0.15000  1.0 3.0
   44    46    51    53   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    61    57   0.15000  1.0 3.0
   45    44    61    77   0.15000  1.0 3.0
   45    44    61    62   0.15000  1.0 3.0
   46    44    61    57   0.56750  1.0 1.0
   46    44    61    57  -0.07550 -1.0 2.0
   46    44    61    57   0.20000  1.0 3.0
   46    44    61    77   0.56750  1.0 1.0
   46    44    61    77  -0.07550 -1.0 2.0
   46    44    61    77   0.20000  1.0 3.0
   46    44    61    62   0.15000  1.0 3.0
   46    48    54    55   0.15000  1.0 3.0
   46    48    54    56   0.15000  1.0 3.0
   46    48   -54    57   0.56750  1.0 1.0
   46    48   -54    57  -0.07550 -1.0 2.0
   46    48   -54    57   0.20000  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    54   0.15000  1.0 3.0
   47    46    51    33   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   48    46    51    33   0.56750  1.0 1.0
   48    46    51    33  -0.07550 -1.0 2.0
   48    46    51    33   0.20000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    54    57    58   0.15000  1.0 3.0
   48    54    57    59   0.56750  1.0 1.0
   48    54    57    59  -0.07550 -1.0 2.0
   48    54    57    59   0.20000  1.0 3.0
   48    54    57    61   0.56750  1.0 1.0
   48    54    57    61  -0.07550 -1.0 2.0
   48    54    57    61   0.20000  1.0 3.0
   49    48    54    55   0.15000  1.0 3.0
   49    48    54    56   0.15000  1.0 3.0
   49    48    54    57   0.15000  1.0 3.0
   50    48    54    55   0.15000  1.0 3.0
   50    48    54    56   0.15000  1.0 3.0
   50    48    54    57   0.15000  1.0 3.0
   54    57    59    60   0.15000  1.0 3.0
   54    57    59    63   0.56750  1.0 1.0
   54    57    59    63  -0.07550 -1.0 2.0
   54    57    59    63   0.20000  1.0 3.0
   54    57    59    72   0.56750  1.0 1.0
   54    57    59    72  -0.07550 -1.0 2.0
   54    57    59    72   0.20000  1.0 3.0
   54    57   -61    44   0.56750  1.0 1.0
   54    57   -61    44  -0.07550 -1.0 2.0
   54    57   -61    44   0.20000  1.0 3.0
   54    57    61    77   0.56750  1.0 1.0
   54    57    61    77  -0.07550 -1.0 2.0
   54    57    61    77   0.20000  1.0 3.0
   54    57    61    62   0.15000  1.0 3.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    59   0.15000  1.0 3.0
   55    54    57    61   0.15000  1.0 3.0
   56    54    57    58   0.15000  1.0 3.0
   56    54    57    59   0.15000  1.0 3.0
   56    54    57    61   0.15000  1.0 3.0
   57    59    63    64   0.15000  1.0 3.0
   57    59    63    65   0.15000  1.0 3.0
   57    59    63    66   0.56750  1.0 1.0
   57    59    63    66  -0.07550 -1.0 2.0
   57    59    63    66   0.20000  1.0 3.0
   57    59    72    69   0.56750  1.0 1.0
   57    59    72    69  -0.07550 -1.0 2.0
   57    59    72    69   0.20000  1.0 3.0
   57    59    72    73   0.15000  1.0 3.0
   57    59    72    74   0.56750  1.0 1.0
   57    59    72    74  -0.07550 -1.0 2.0
   57    59    72    74   0.20000  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    63   0.15000  1.0 3.0
   58    57    59    72   0.15000  1.0 3.0
   58    57    61    44   0.15000  1.0 3.0
   58    57    61    77   0.15000  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   59    57    61    44   0.56750  1.0 1.0
   59    57    61    44  -0.07550 -1.0 2.0
   59    57    61    44   0.20000  1.0 3.0
   59    57    61    77   0.56750  1.0 1.0
   59    57    61    77  -0.07550 -1.0 2.0
   59    57    61    77   0.20000  1.0 3.0
   59    57    61    62   0.15000  1.0 3.0
   59    63    66    67   0.15000  1.0 3.0
   59    63    66    68   0.15000  1.0 3.0
   59    63   -66    69   0.56750  1.0 1.0
   59    63   -66    69  -0.07550 -1.0 2.0
   59    63   -66    69   0.20000  1.0 3.0
   59    72    74    75   0.15000  1.0 3.0
   59    72    74    76   0.15000  1.0 3.0
   59    72   -74    77   0.56750  1.0 1.0
   59    72   -74    77  -0.07550 -1.0 2.0
   59    72   -74    77   0.20000  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    65   0.15000  1.0 3.0
   60    59    63    66   0.15000  1.0 3.0
   60    59    72    69   0.15000  1.0 3.0
   60    59    72    73   0.15000  1.0 3.0
   60    59    72    74   0.15000  1.0 3.0
   63    59   -72    69   0.56750  1.0 1.0
   63    59   -72    69  -0.07550 -1.0 2.0
   63    59   -72    69   0.20000  1.0 3.0
   63    59    72    73   0.15000  1.0 3.0
   63    59    72    74   0.56750  1.0 1.0
   63    59    72    74  -0.07550 -1.0 2.0
   63    59    72    74   0.20000  1.0 3.0
   63    66    69    70   0.15000  1.0 3.0
   63    66    69    71   0.15000  1.0 3.0
   63    66   -69    72   0.56750  1.0 1.0
   63    66   -69    72  -0.07550 -1.0 2.0
   63    66   -69    72   0.20000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   66    69   -72    59   0.56750  1.0 1.0
   66    69   -72    59  -0.07550 -1.0 2.0
   66    69   -72    59   0.20000  1.0 3.0
   66    69    72    73   0.15000  1.0 3.0
   66    69    72    74   0.56750  1.0 1.0
   66    69    72    74  -0.07550 -1.0 2.0
   66    69    72    74   0.20000  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    72    74    75   0.15000  1.0 3.0
   69    72    74    76   0.15000  1.0 3.0
   69    72    74    77   0.56750  1.0 1.0
   69    72    74    77  -0.07550 -1.0 2.0
   69    72    74    77   0.20000  1.0 3.0
   70    69    72    59   0.15000  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   71    69    72    59   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   72    59    63    64   0.15000  1.0 3.0
   72    59    63    65   0.15000  1.0 3.0
   72    59   -63    66   0.56750  1.0 1.0
   72    59   -63    66  -0.07550 -1.0 2.0
   72    59   -63    66   0.20000  1.0 3.0
   72    74    77    78   0.15000  1.0 3.0
   72    74    77    79   0.15000  1.0 3.0
   72    74    77    61   0.56750  1.0 1.0
   72    74    77    61  -0.07550 -1.0 2.0
   72    74    77    61   0.20000  1.0 3.0
   73    72    74    75   0.15000  1.0 3.0
   73    72    74    76   0.15000  1.0 3.0
   73    72    74    77   0.15000  1.0 3.0
   74    77    61    44   0.56750  1.0 1.0
   74    77    61    44  -0.07550 -1.0 2.0
   74    77    61    44   0.20000  1.0 3.0
   74    77   -61    57   0.56750  1.0 1.0
   74    77   -61    57  -0.07550 -1.0 2.0
   74    77   -61    57   0.20000  1.0 3.0
   74    77    61    62   0.15000  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    61   0.15000  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    79   0.15000  1.0 3.0
   76    74    77    61   0.15000  1.0 3.0
   78    77    61    44   0.15000  1.0 3.0
   78    77    61    57   0.15000  1.0 3.0
   78    77    61    62   0.15000  1.0 3.0
   79    77    61    44   0.15000  1.0 3.0
   79    77    61    57   0.15000  1.0 3.0
   79    77    61    62   0.15000  1.0 3.0
   61    44    46    47   0.15000  1.0 3.0
   61    44   -46    48   0.56750  1.0 1.0
   61    44   -46    48  -0.07550 -1.0 2.0
   61    44   -46    48   0.20000  1.0 3.0
   61    44    46    51   0.56750  1.0 1.0
   61    44    46    51  -0.07550 -1.0 2.0
   61    44    46    51   0.20000  1.0 3.0
   61    57    59    60   0.15000  1.0 3.0
   61    57    59    63   0.56750  1.0 1.0
   61    57    59    63  -0.07550 -1.0 2.0
   61    57    59    63   0.20000  1.0 3.0
   61    57   -59    72   0.56750  1.0 1.0
   61    57   -59    72  -0.07550 -1.0 2.0
   61    57   -59    72   0.20000  1.0 3.0
   51    33    38    39   0.15000  1.0 3.0
   51    33    38    40   0.15000  1.0 3.0
   51    33   -38    41   0.56750  1.0 1.0
   51    33   -38    41  -0.07550 -1.0 2.0
   51    33   -38    41   0.20000  1.0 3.0
   51    46    48    49   0.15000  1.0 3.0
   51    46    48    50   0.15000  1.0 3.0
   51    46    48    54   0.56750  1.0 1.0
   51    46    48    54  -0.07550 -1.0 2.0
   51    46    48    54   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
END
