* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    155    256     467
    1     0 S   NP   _N1_     1    28.68629    95.68961   -23.21714
    2     1 S   H    _HN1     2     1.02829    34.75638   171.49213
    3     1 S   H    _H1_     3     1.02783   101.75932   -84.01080
    4     1 S   H    _H2_     4     1.02952    77.11203    22.38464
    5     1 S   CT   _CA1     5     1.50102   139.60663   128.82660
    6     5 S   HC   _HA1     6     1.09572   105.22857    83.63191
    7     5 S   CO3  _C1_     7     1.53807   112.43504   -36.64691
    8     7 S   O2Z  _O11     8     1.26370   115.01464   -43.19785
    9     7 S   O2Z  _O12     9     1.26241   114.95095   136.01961
   10     5 S   CT   _CB1    10     1.53092   107.43119  -158.36988
   11    10 S   HC   HB11    11     1.09828   109.42758   -49.90792
   12    10 S   HC   HB12    12     1.09815   110.41516    66.70801
   13    10 S   CT   _CG1    13     1.52975   112.58319  -170.91507
   14    13 S   HC   HG11    14     1.09592   110.55315   -63.91607
   15    13 S   HC   HG12    15     1.09664   109.87399    55.30602
   16    13 S   C    _CD1    16     1.51789   112.32884   175.77590
   17    16 S   O    _OE1    17     1.22717   123.33351     2.69094
   18    16 S   N    _N2_    18     1.38632   111.57223  -177.42854
   19    18 S   H    _HN2    19     1.01586   118.93157     2.12394
   20    18 S   CT1  _CA2    20     1.46209   123.44058   179.00417
   21    20 S   HC   _HA2    21     1.09733   109.43692    -1.50324
   22    20 S   C    _C2_    22     1.53470   108.53347  -117.05972
   23    22 S   O    _O2_    23     1.23046   122.30745  -147.84634
   24    20 S   CT   _CB2    32     1.53408   111.34110   120.56234
   25    24 S   HC   HB21    33     1.09426   109.56151    56.29448
   26    24 S   HC   HB22    34     1.09461   110.00568   175.08921
   27    22 S   N    _N3_    24     1.38340   113.61368    39.61012
   28    27 S   H    _HN3    25     1.01611   119.55022    -3.45808
   29    24 S   S    _SG2    35     1.82983   111.12040   -65.70920
   30    27 S   CT   _CA3    26     1.45290   123.16495   177.03568
   31    30 S   HC   HA31    27     1.09551   107.51422   -64.24248
   32    30 S   HC   HA32    28     1.09558   107.96750    52.17825
   33    29 S   CT   _C14    36     1.88418   101.80100   161.14978
   34    30 S   CO3  _C3_    29     1.52947   114.11425   174.16904
   35    34 S   O2Z  _O31    30     1.26371   116.06171    -0.81325
   36    34 S   O2Z  _O32    31     1.26429   114.41236   179.25009
   37    33 S   CM   _C9_    37     1.54377   105.16014   177.72738
   38    33 S   CT   _C15    61     1.54314   110.15852    57.94310
   39    38 S   HC   _H17    62     1.09535   111.78225   -55.73223
   40    38 S   HC   _H18    63     1.09949   109.27203  -171.91182
   41    37 S   CM   _C8_    38     1.35758   122.78248   -99.39327
   42    37 S   CT   _C10    68     1.51827   112.03861    84.73512
   43    42 S   HC   _H11    69     1.09143   114.41705  -169.09232
   44    42 S   HC   _H12    70     1.09698   109.76402   -51.44235
   45    41 S   CM   _C7_    39     1.47228   123.52836   175.33268
   46    45 S   HC   _H10    40     1.08362   119.16003     6.28104
   47    42 S   CT   _C11    71     1.52762   108.43432    68.76734
   48    47 S   HC   _H13    72     1.09451   110.09153  -162.38675
   49    47 S   HC   _H14    73     1.09617   109.83939    77.85123
   50    45 S   CM   _C6_    41     1.34672   124.17753  -171.88250
   51    50 S   HC   _H9_    42     1.08670   119.48308  -179.79923
   52    47 S   CO4  _C12    74     1.51670   111.57222   -41.51774
   53    52 S   O    _O33    75     1.23051   121.29967   166.76025
   54    50 S   CT   _C5_    43     1.50609   122.31500    -2.75953
   55    33 S   CT   _C13    76     1.54984   108.27954   -62.91723
   56    55 S   HC   _H15    77     1.09667   111.12552    97.79206
   57    55 S   HC   _H16    78     1.09784   112.62432   -21.97543
   58    54 S   CT   _C18    44     1.54727   107.85200    26.41821
   59    58 S   HC   _H4_    45     1.10547   108.86689    60.39523
   60    54 S   CT   _C4_    64     1.54838   106.75798   -98.22434
   61    60 S   HC   _H6_    65     1.09428   112.65949   176.85938
   62    60 S   HC   _H7_    66     1.09539   112.32101    55.58817
   63    60 S   HC   _H8_    67     1.09712   110.84246   -63.24807
   64    58 S   CT   _C19    46     1.52212   103.46527   172.04367
   65    64 S   HC   _H21    47     1.09464   112.18089  -157.00365
   66    64 S   HC   _H22    48     1.09530   111.72783    81.97121
   67    41 S   CT   _C17    56     1.54119   121.54493    -4.31865
   68    67 S   HC   _H3_    57     1.09830   106.47294   -99.48759
   69    64 S   CT   _C20    49     1.54137   103.20450   -36.96967
   70    69 S   HC   _H23    50     1.09578   110.75259   132.07790
   71    69 S   HC   _H24    51     1.09583   110.73500  -109.42631
   72    67 S   CT   _C16    58     1.52900   114.33548    16.88098
   73    72 S   HC   _H19    59     1.09690   109.58478  -164.00483
   74    72 S   HC   _H20    60     1.09568   111.01296    78.91051
   75    54 S   CT   _C21    52     1.54066   117.59082   136.58322
   76    75 S   HC   _H5_    53     1.09763   110.77332   -39.41727
   77    75 S   OH   _O34    54     1.41593   113.08013    81.94946
   78    77 S   HO   _H25    55     0.97240   107.43995   174.83559
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  19   2   1   1  21  14   6   5  18  10   5   4  10   4   7   4
   3  14   4   4   3  19   3   1   1  19   9   9   3   2   1  11
   6   5   6   3   6   4   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    55    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    72    38    39    40    42    52    55    56    57  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    45    67    72    73    74    38    39    40    42    43    44    47    52    53    55    56    57  
   35    36  
   36  
    0  
   41    45    46    50    58    67    68    72    38    39    40    42    43    44    47    48    49    52    55    56    57  
   39    40    42    52    55    56    57    41    58    67    68    72    73    74  
   40    55    67    72    73    74  
   55    67    72    73    74  
   45    46    50    51    54    58    59    64    67    68    72    73    74    42    43    44    47    55  
   43    44    47    48    49    52    53    55    45    67  
   44    47    48    49    52  
   47    48    49    52  
   46    50    51    54    58    75    67    68    72    60  
   50    51    54    67  
   48    49    52    53    55    56    57  
   49    52    53    55  
   52    53    55  
   51    54    58    59    64    69    75    76    77    67    60    61    62    63  
   54    58    75    60  
   53    55    56    57  
   55    56    57  
   58    59    64    65    66    69    70    71    75    76    77    78    67    68    72    60    61    62    63  
   56    57    72  
   57  
    0  
   59    64    65    66    69    70    71    75    76    77    67    68    72    73    74    60    61    62    63  
   64    65    66    69    75    67    68    72    60  
   61    62    63    64    67    69    75    76    77  
   62    63    75  
   63    75  
   75  
   65    66    69    70    71    75    76    77    67    68    72  
   66    69    70    71    75    67  
   69    70    71    75    67  
   68    72    73    74    69    75  
   72    73    74  
   70    71    75    76    77    78  
   71    75    76    77  
   75    76    77  
   73    74  
   74  
    0  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   268.000  1.529
   33    55   268.000  1.529
   37    41   549.000  1.340
   37    42   317.000  1.510
   41    45   380.000  1.444
   41    67   317.000  1.510
   45    46   340.000  1.080
   45    50   549.000  1.340
   50    51   340.000  1.080
   50    54   317.000  1.510
   54    58   268.000  1.529
   54    75   268.000  1.529
   54    60   268.000  1.529
   58    59   340.000  1.090
   58    64   268.000  1.529
   58    67   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    75   268.000  1.529
   75    76   340.000  1.090
   75    77   320.000  1.410
   77    78   553.000  0.945
   67    68   340.000  1.090
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    38   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   317.000  1.522
   52    53   570.000  1.229
   52    55   317.000  1.522
   55    56   340.000  1.090
   55    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    38    75.00000  111.63000
   29    33    55    75.00000  111.63000
   33    37    41    70.00000  124.00000
   33    37    42    65.00000  117.92700
   33    38    72    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    55    52    63.00000  111.10000
   33    55    56    37.50000  110.70000
   33    55    57    37.50000  110.70000
   37    41    45    70.00000  123.01800
   37    41    67    70.00000  124.00000
   37    42    43    35.00000  109.50000
   37    42    44    35.00000  109.50000
   37    42    47    70.00000  112.02700
   41    45    46    35.00000  120.00000
   41    45    50    70.00000  123.01800
   41    67    58    70.00000  112.02700
   41    67    68    35.00000  109.50000
   41    67    72    70.00000  112.02700
   45    50    51    35.00000  120.00000
   45    50    54    70.00000  124.00000
   50    45    46    35.00000  120.00000
   50    54    58    70.00000  112.02700
   50    54    75    70.00000  112.02700
   50    54    60    70.00000  112.02700
   54    50    51    35.00000  117.00000
   54    58    59    37.50000  110.70000
   54    58    64    58.35000  112.70000
   54    58    67    58.35000  112.70000
   54    75    69    58.35000  112.70000
   54    75    76    37.50000  110.70000
   54    75    77    50.00000  109.50000
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    63    37.50000  110.70000
   58    64    65    37.50000  110.70000
   58    64    66    37.50000  110.70000
   58    64    69    58.35000  112.70000
   58    67    68    37.50000  110.70000
   58    67    72    58.35000  112.70000
   64    58    59    37.50000  110.70000
   64    69    70    37.50000  110.70000
   64    69    71    37.50000  110.70000
   64    69    75    58.35000  112.70000
   66    64    65    33.00000  107.80000
   69    64    65    37.50000  110.70000
   69    64    66    37.50000  110.70000
   69    75    76    37.50000  110.70000
   69    75    77    50.00000  109.50000
   71    69    70    33.00000  107.80000
   75    54    58    58.35000  112.70000
   75    69    70    37.50000  110.70000
   75    69    71    37.50000  110.70000
   75    77    78    55.00000  108.50000
   77    75    76    35.00000  109.50000
   67    41    45    70.00000  124.00000
   67    58    59    37.50000  110.70000
   67    58    64    58.35000  112.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    38    58.35000  112.70000
   72    67    68    37.50000  110.70000
   72    38    39    37.50000  110.70000
   72    38    40    37.50000  110.70000
   74    72    73    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    72    73    37.50000  110.70000
   38    72    74    37.50000  110.70000
   40    38    39    33.00000  107.80000
   60    54    58    58.35000  112.70000
   60    54    75    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   42    37    41    70.00000  124.00000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    52    63.00000  111.10000
   44    42    43    33.00000  107.80000
   47    42    43    37.50000  110.70000
   47    42    44    37.50000  110.70000
   47    52    53    80.00000  120.40000
   47    52    55    70.00000  116.00000
   49    47    48    33.00000  107.80000
   52    47    48    35.00000  109.50000
   52    47    49    35.00000  109.50000
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   55    33    37    70.00000  112.02700
   55    33    38    58.35000  112.70000
   55    52    53    80.00000  120.40000
   57    55    56    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    37    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    38    72   0.44750  1.0 1.0
   29    33    38    72  -0.17800 -1.0 2.0
   29    33    38    72   0.20200  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    55    52   0.56750  1.0 1.0
   29    33    55    52  -0.07550 -1.0 2.0
   29    33    55    52   0.20000  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    57   0.15000  1.0 3.0
   33    37    41    45   7.00000 -1.0 2.0
   33    37    41    67   7.00000 -1.0 2.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    44   0.34800  1.0 3.0
   33    37    42    47   0.46850  1.0 1.0
   33    37    42    47   0.08550 -1.0 2.0
   33    37    42    47   0.09800  1.0 3.0
   37    33    38    72   0.34400  1.0 1.0
   37    33    38    72   0.09450 -1.0 2.0
   37    33    38    72   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    55    52  -0.98800  1.0 1.0
   37    33    55    52   0.48800 -1.0 2.0
   37    33    55    52   0.76800  1.0 3.0
   37    33    55    56   0.15000  1.0 3.0
   37    33    55    57   0.15000  1.0 3.0
   37    41    45    46  -0.18600  1.0 3.0
   37    41    45    50   0.28850  1.0 1.0
   37    41    45    50   2.61350 -1.0 2.0
   37    41    45    50   0.78400  1.0 3.0
   37    41    67    58   0.09850  1.0 1.0
   37    41    67    58   0.15250 -1.0 2.0
   37    41    67    58  -0.50650  1.0 3.0
   37    41    67    68   0.00000  1.0 1.0
   37    41   -67    72   0.09850  1.0 1.0
   37    41   -67    72   0.15250 -1.0 2.0
   37    41   -67    72  -0.50650  1.0 3.0
   37    42    47    48   0.15000  1.0 3.0
   37    42    47    49   0.15000  1.0 3.0
   37    42   -47    52  -0.98800  1.0 1.0
   37    42   -47    52   0.48800 -1.0 2.0
   37    42   -47    52   0.76800  1.0 3.0
   41    37    42    43   0.00000  1.0 1.0
   41    37    42    44   0.00000  1.0 1.0
   41    37    42    47   0.09850  1.0 1.0
   41    37    42    47   0.15250 -1.0 2.0
   41    37    42    47  -0.50650  1.0 3.0
   41    45    50    51   7.00000 -1.0 2.0
   41    45    50    54   7.00000 -1.0 2.0
   41    67    72    73   0.15000  1.0 3.0
   41    67    72    74   0.15000  1.0 3.0
   41    67    72    38   0.34400  1.0 1.0
   41    67    72    38   0.09450 -1.0 2.0
   41    67    72    38   0.11100  1.0 3.0
   45    41    67    58   0.98200  1.0 1.0
   45    41    67    58  -0.11900 -1.0 2.0
   45    41    67    58   0.24250  1.0 3.0
   45    41    67    68   0.00000  1.0 1.0
   45    41    67    72   0.98200  1.0 1.0
   45    41    67    72  -0.11900 -1.0 2.0
   45    41    67    72   0.24250  1.0 3.0
   45    50   -54    58   0.09850  1.0 1.0
   45    50   -54    58   0.15250 -1.0 2.0
   45    50   -54    58  -0.50650  1.0 3.0
   45    50    54    75   0.09850  1.0 1.0
   45    50    54    75   0.15250 -1.0 2.0
   45    50    54    75  -0.50650  1.0 3.0
   45    50    54    60   0.09850  1.0 1.0
   45    50    54    60   0.15250 -1.0 2.0
   45    50    54    60  -0.50650  1.0 3.0
   46    45    50    51   7.00000 -1.0 2.0
   46    45    50    54   7.00000 -1.0 2.0
   50    54    58    59   0.15000  1.0 3.0
   50    54    58    64   0.34400  1.0 1.0
   50    54    58    64   0.09450 -1.0 2.0
   50    54    58    64   0.11100  1.0 3.0
   50    54    58    67   0.34400  1.0 1.0
   50    54    58    67   0.09450 -1.0 2.0
   50    54    58    67   0.11100  1.0 3.0
   50    54    75    69   0.34400  1.0 1.0
   50    54    75    69   0.09450 -1.0 2.0
   50    54    75    69   0.11100  1.0 3.0
   50    54    75    76   0.15000  1.0 3.0
   50    54    75    77   1.05650  1.0 1.0
   50    54    75    77   0.15600 -1.0 2.0
   50    54    75    77   0.53150  1.0 3.0
   50    54    60    61   0.15000  1.0 3.0
   50    54    60    62   0.15000  1.0 3.0
   50    54    60    63   0.15000  1.0 3.0
   51    50    54    58   0.00000  1.0 1.0
   51    50    54    75   0.00000  1.0 1.0
   51    50    54    60   0.00000  1.0 1.0
   54    58    64    65   0.15000  1.0 3.0
   54    58    64    66   0.15000  1.0 3.0
   54    58   -64    69   0.56750  1.0 1.0
   54    58   -64    69  -0.07550 -1.0 2.0
   54    58   -64    69   0.20000  1.0 3.0
   54    58   -67    41   0.34400  1.0 1.0
   54    58   -67    41   0.09450 -1.0 2.0
   54    58   -67    41   0.11100  1.0 3.0
   54    58    67    68   0.15000  1.0 3.0
   54    58    67    72   0.56750  1.0 1.0
   54    58    67    72  -0.07550 -1.0 2.0
   54    58    67    72   0.20000  1.0 3.0
   54    75    77    78  -0.11600  1.0 1.0
   54    75    77    78  -0.09450 -1.0 2.0
   54    75    77    78   0.21250  1.0 3.0
   58    54   -75    69   0.56750  1.0 1.0
   58    54   -75    69  -0.07550 -1.0 2.0
   58    54   -75    69   0.20000  1.0 3.0
   58    54    75    76   0.15000  1.0 3.0
   58    54    75    77   0.86500  1.0 1.0
   58    54    75    77  -0.17500 -1.0 2.0
   58    54    75    77   0.20800  1.0 3.0
   58    54    60    61   0.15000  1.0 3.0
   58    54    60    62   0.15000  1.0 3.0
   58    54    60    63   0.15000  1.0 3.0
   58    64    69    70   0.15000  1.0 3.0
   58    64    69    71   0.15000  1.0 3.0
   58    64   -69    75   0.56750  1.0 1.0
   58    64   -69    75  -0.07550 -1.0 2.0
   58    64   -69    75   0.20000  1.0 3.0
   58    67    72    73   0.15000  1.0 3.0
   58    67    72    74   0.15000  1.0 3.0
   58    67    72    38   0.56750  1.0 1.0
   58    67    72    38  -0.07550 -1.0 2.0
   58    67    72    38   0.20000  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    66   0.15000  1.0 3.0
   59    58    64    69   0.15000  1.0 3.0
   59    58    67    41   0.15000  1.0 3.0
   59    58    67    68   0.15000  1.0 3.0
   59    58    67    72   0.15000  1.0 3.0
   64    58    67    41   0.34400  1.0 1.0
   64    58    67    41   0.09450 -1.0 2.0
   64    58    67    41   0.11100  1.0 3.0
   64    58    67    68   0.15000  1.0 3.0
   64    58    67    72   0.56750  1.0 1.0
   64    58    67    72  -0.07550 -1.0 2.0
   64    58    67    72   0.20000  1.0 3.0
   64    69   -75    54   0.56750  1.0 1.0
   64    69   -75    54  -0.07550 -1.0 2.0
   64    69   -75    54   0.20000  1.0 3.0
   64    69    75    76   0.15000  1.0 3.0
   64    69    75    77   0.86500  1.0 1.0
   64    69    75    77  -0.17500 -1.0 2.0
   64    69    75    77   0.20800  1.0 3.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    71   0.15000  1.0 3.0
   65    64    69    75   0.15000  1.0 3.0
   66    64    69    70   0.15000  1.0 3.0
   66    64    69    71   0.15000  1.0 3.0
   66    64    69    75   0.15000  1.0 3.0
   69    75    77    78  -0.11600  1.0 1.0
   69    75    77    78  -0.09450 -1.0 2.0
   69    75    77    78   0.21250  1.0 3.0
   70    69    75    54   0.15000  1.0 3.0
   70    69    75    76   0.15000  1.0 3.0
   70    69    75    77   0.23400  1.0 3.0
   71    69    75    54   0.15000  1.0 3.0
   71    69    75    76   0.15000  1.0 3.0
   71    69    75    77   0.23400  1.0 3.0
   75    54    58    59   0.15000  1.0 3.0
   75    54   -58    64   0.56750  1.0 1.0
   75    54   -58    64  -0.07550 -1.0 2.0
   75    54   -58    64   0.20000  1.0 3.0
   75    54    58    67   0.56750  1.0 1.0
   75    54    58    67  -0.07550 -1.0 2.0
   75    54    58    67   0.20000  1.0 3.0
   75    54    60    61   0.15000  1.0 3.0
   75    54    60    62   0.15000  1.0 3.0
   75    54    60    63   0.15000  1.0 3.0
   76    75    77    78   0.19450  1.0 3.0
   67    41    45    46   0.00000  1.0 1.0
   67    41   -45    50  -0.18600  1.0 3.0
   67    58    64    65   0.15000  1.0 3.0
   67    58    64    66   0.15000  1.0 3.0
   67    58    64    69   0.56750  1.0 1.0
   67    58    64    69  -0.07550 -1.0 2.0
   67    58    64    69   0.20000  1.0 3.0
   67    72   -38    33   0.56750  1.0 1.0
   67    72   -38    33  -0.07550 -1.0 2.0
   67    72   -38    33   0.20000  1.0 3.0
   67    72    38    39   0.15000  1.0 3.0
   67    72    38    40   0.15000  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    38   0.15000  1.0 3.0
   73    72    38    33   0.15000  1.0 3.0
   73    72    38    39   0.15000  1.0 3.0
   73    72    38    40   0.15000  1.0 3.0
   74    72    38    33   0.15000  1.0 3.0
   74    72    38    39   0.15000  1.0 3.0
   74    72    38    40   0.15000  1.0 3.0
   38    33   -37    41   0.09850  1.0 1.0
   38    33   -37    41   0.15250 -1.0 2.0
   38    33   -37    41  -0.50650  1.0 3.0
   38    33    37    42   0.46850  1.0 1.0
   38    33    37    42   0.08550 -1.0 2.0
   38    33    37    42   0.09800  1.0 3.0
   38    33    55    52  -0.95700  1.0 1.0
   38    33    55    52  -0.18200 -1.0 2.0
   38    33    55    52   0.29450  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    57   0.15000  1.0 3.0
   60    54    58    59   0.15000  1.0 3.0
   60    54    58    64   0.56750  1.0 1.0
   60    54    58    64  -0.07550 -1.0 2.0
   60    54    58    64   0.20000  1.0 3.0
   60    54    58    67   0.56750  1.0 1.0
   60    54    58    67  -0.07550 -1.0 2.0
   60    54    58    67   0.20000  1.0 3.0
   60    54    75    69   0.56750  1.0 1.0
   60    54    75    69  -0.07550 -1.0 2.0
   60    54    75    69   0.20000  1.0 3.0
   60    54    75    76   0.15000  1.0 3.0
   60    54    75    77   0.86500  1.0 1.0
   60    54    75    77  -0.17500 -1.0 2.0
   60    54    75    77   0.20800  1.0 3.0
   42    37    41    45   7.00000 -1.0 2.0
   42    37    41    67   7.00000 -1.0 2.0
   42    47    52    53   0.30150 -1.0 2.0
   42    47    52    55   0.60050  1.0 1.0
   42    47    52    55   0.05600 -1.0 2.0
   42    47    52    55   0.26150  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    52  -0.11250  1.0 3.0
   44    42    47    48   0.15000  1.0 3.0
   44    42    47    49   0.15000  1.0 3.0
   44    42    47    52  -0.11250  1.0 3.0
   47    52   -55    33   0.60050  1.0 1.0
   47    52   -55    33   0.05600 -1.0 2.0
   47    52   -55    33   0.26150  1.0 3.0
   47    52    55    56   0.00000  1.0 1.0
   47    52    55    57   0.00000  1.0 1.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    52    55   0.00000  1.0 1.0
   49    47    52    53   0.00000  1.0 1.0
   49    47    52    55   0.00000  1.0 1.0
   53    52    55    33   0.30150 -1.0 2.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    57   0.00000  1.0 1.0
   55    33    37    41   0.09850  1.0 1.0
   55    33    37    41   0.15250 -1.0 2.0
   55    33    37    41  -0.50650  1.0 3.0
   55    33   -37    42   0.46850  1.0 1.0
   55    33   -37    42   0.08550 -1.0 2.0
   55    33   -37    42   0.09800  1.0 3.0
   55    33    38    72   0.56750  1.0 1.0
   55    33    38    72  -0.07550 -1.0 2.0
   55    33    38    72   0.20000  1.0 3.0
   55    33    38    39   0.15000  1.0 3.0
   55    33    38    40   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
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    41   1.10000 -1.0 2.0
   45    67    41    37   1.10000 -1.0 2.0
   41    46    45    50   1.10000 -1.0 2.0
   54    51    50    45   1.10000 -1.0 2.0
   47    55    52    53  10.50000 -1.0 2.0
END
