* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    147    225     429
    1     0 S   NP   _N1_     1    28.52989    95.80370   -24.04892
    2     1 S   H    _HN1     2     1.02957    77.16646    -0.16313
    3     1 S   H    _H1_     3     1.02834    31.16063   163.21265
    4     1 S   H    _H2_     4     1.02783   110.10353  -105.22611
    5     1 S   CT   _CA1     5     1.50139   131.23446   105.82170
    6     5 S   HC   _HA1     6     1.09574   105.20165    86.88907
    7     5 S   CO3  _C1_     7     1.53749   112.37085   -33.30984
    8     7 S   O2Z  _O11     8     1.26366   114.98506   -43.85868
    9     7 S   O2Z  _O12     9     1.26228   114.91564   135.16008
   10     5 S   CT   _CB1    10     1.53061   107.40288  -155.20887
   11    10 S   HC   HB11    11     1.09837   109.25810   -50.40183
   12    10 S   HC   HB12    12     1.09817   110.44862    66.10662
   13    10 S   CT   _CG1    13     1.53057   112.75944  -171.45321
   14    13 S   HC   HG11    14     1.09580   110.60912   -66.13122
   15    13 S   HC   HG12    15     1.09657   109.86887    53.16807
   16    13 S   C    _CD1    16     1.51793   112.06016   173.49781
   17    16 S   O    _OE1    17     1.22798   123.20872     5.29550
   18    16 S   N    _N2_    18     1.38648   111.95179  -174.81685
   19    18 S   H    _HN2    19     1.01590   119.24926     2.47314
   20    18 S   CT1  _CA2    20     1.45792   122.43351   176.48498
   21    20 S   HC   _HA2    21     1.09568   109.70613    19.80194
   22    20 S   C    _C2_    22     1.52670   105.07802   -97.08604
   23    22 S   O    _O2_    23     1.22966   122.64215   -89.60354
   24    20 S   CT   _CB2    32     1.53074   112.18474   142.83205
   25    24 S   HC   HB21    33     1.09525   111.03866    49.85884
   26    24 S   HC   HB22    34     1.09486   109.39110   169.04147
   27    22 S   N    _N3_    24     1.38462   112.83827    86.66124
   28    27 S   H    _HN3    25     1.01697   120.01082    -0.97639
   29    24 S   S    _SG2    35     1.82520   110.58553   -70.79503
   30    27 S   CT   _CA3    26     1.45296   122.50702  -179.07275
   31    30 S   HC   HA31    27     1.09573   107.38810   -61.68762
   32    30 S   HC   HA32    28     1.09557   107.98789    54.57845
   33    29 S   CT   _C19    36     1.84275    99.89191  -158.58533
   34    33 S   HC   _H5_    37     1.09079   107.79487    42.27849
   35    30 S   CO3  _C3_    29     1.52850   114.35311   176.22156
   36    35 S   O2Z  _O31    30     1.26321   116.04109   -13.68962
   37    35 S   O2Z  _O32    31     1.26432   114.46246   166.52893
   38    33 S   CT   _C20    38     1.54304   110.28078   -73.37863
   39    38 S   HC   _H17    39     1.09831   108.94534   173.49178
   40    38 S   HC   _H18    40     1.09800   110.23309    56.16551
   41    33 S   CT   _C18    45     1.54764   111.07409   161.58590
   42    41 S   HC   _H4_    46     1.09830   108.65914    67.31153
   43    38 S   OS   _O35    41     1.42579   110.40547   -66.29308
   44    41 S   CT   _C17    47     1.54796   117.07714   -55.32438
   45    44 S   HC   _H3_    48     1.09171   109.95508    52.16303
   46    41 S   OH   _O38    81     1.43296   108.34611  -178.25392
   47    46 S   HO   _H19    82     0.97320   106.87326  -170.88109
   48    43 S   PR   _P1_    42     1.62109   116.48043   176.02635
   49    48 S   OM   _O37    43     1.64157    98.09382    82.65555
   50    48 S   OM   _O36    44     1.64080    97.74413  -178.16602
   51    44 S   CT   _C16    49     1.54217   117.42471   -76.16094
   52    51 S   HC   _H15    50     1.09858   109.94882  -170.45958
   53    51 S   HC   _H16    51     1.09788   108.51056   -59.44225
   54    44 S   OH   _O39    79     1.44217   105.89393   165.42863
   55    54 S   HO   _H20    80     0.97260   107.59434  -170.09027
   56    51 S   NE   _N4_    52     1.47061   114.82684    65.11491
   57    56 S   CA   _C8_    53     1.41312   120.11860    74.21008
   58    56 S   CDX  _C12    63     1.39461   120.38734  -107.80723
   59    57 S   CA   _C9_    54     1.40673   123.96906     3.32331
   60    59 S   HA   _H10    55     1.08665   120.43363     0.79377
   61    58 S   NI   _N5_    64     1.30011   124.63908    -4.38575
   62    59 S   CA   _C10    56     1.40810   122.39689  -179.18627
   63    61 S   C    _C13    65     1.37527   123.62653   178.91394
   64    63 S   O    _O33    66     1.23195   121.44716   177.25369
   65    62 S   CA   _C5_    57     1.40247   119.39823    -1.41720
   66    63 S   N    _N6_    67     1.38934   119.54824    -2.85444
   67    66 S   H    _H14    68     1.01453   116.67537  -178.07278
   68    62 S   CT   _C11    75     1.50420   119.27882   179.06833
   69    68 S   HC   _H11    76     1.09450   110.23596   114.63978
   70    68 S   HC   _H12    77     1.09474   110.41065  -124.19772
   71    68 S   HC   _H13    78     1.09518   111.64361    -5.01169
   72    65 S   CA   _C6_    58     1.39903   118.76404     0.80794
   73    72 S   HA   _H9_    59     1.08921   119.61106   179.48756
   74    82 S   C    _C14    69     1.49532   117.28717  -179.82641
   75    74 S   O    _O34    70     1.21893   121.09416    -3.92541
   76    65 S   CT   _C4_    71     1.50252   121.78330   179.80021
   77    76 S   HC   _H6_    72     1.09447   110.18705   -65.97550
   78    76 S   HC   _H7_    73     1.09454   110.54476    55.17886
   79    76 S   HC   _H8_    74     1.09508   111.49856   174.28759
   80    57 S   CA   _C7_    60     1.40833   118.69320  -177.16048
   81    80 S   NI   _N7_    61     1.40353   122.47351     0.17583
   82    81 S   CD   _C15    62     1.29325   119.39469    -2.67474
  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  10   4   3  12   6   3  11   7   3   1   2
   1   1  11   5   4   2   1  12  12  10  11   4   7  12   6   3
  12   5   3   5   2   1   1   8   3   4   2   4   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    41    42    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    48    41    42    44    45    51    54    46    47  
   38    39    40    43    41    42    44    46  
   36    37  
   37  
    0  
   39    40    43    48    49    50    41    42    44    46  
   40    43    48    41  
   43    48    41  
   42    44    45    51    52    53    56    54    55    46    47    43  
   44    45    51    54    46    47  
   48    49    50  
   45    51    52    53    56    57    58    54    55    46    47  
   51    52    53    56    54    55    46  
   47    51    54  
    0  
   49    50  
   50  
    0  
   52    53    56    57    59    80    82    58    61    54    55  
   53    56    57    58    54  
   56    57    58    54  
   55    56  
    0  
   57    59    60    62    72    80    81    82    58    61    63    74  
   59    60    62    65    72    73    80    81    82    58    61    68  
   61    63    64    66    74    75    59    80    81    82  
   60    62    65    72    80    81    76    68    69    70    71  
   62    65    80    68  
   63    64    66    67    74    81    82  
   65    72    73    80    76    77    78    79    68    69    70    71  
   64    66    67    74    75    82  
   66    67    74  
   72    73    80    81    76    77    78    79    68    69    70    71  
   67    74    75    81    82  
   74    75    82  
   69    70    71    72    76  
   70    71  
   71  
    0  
   73    80    81    82    76    77    78    79  
   80    81    76  
   75    80    81    82  
   81    82  
   77    78    79    80  
   78    79  
   79  
    0  
   81    82  
   82  
    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   0.080000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -1.312500   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.7400   0.2000   0.937500   2.1070   1.8700   0.005000000   0.000000000
   49   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   50   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   51   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.2500   0.1700  -0.197700   1.9050   1.6860   0.051222218  -2.220205820
   57   3.5500   0.0700   0.100200   2.5000   1.7750   0.001000000  -0.843144165
   58   3.7500   0.1050   0.334000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.2800   0.1700  -0.481500   1.8540   1.6400   0.005000000   0.000000000
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.7500   0.1050   0.753000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.2500   0.1700  -0.536200   1.8100   1.6000   0.054801302  -1.445846770
   67   0.5000   0.0300   0.291200   1.5900   1.4000   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   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   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   76   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700   0.078800   2.5000   1.7750   0.001000000  -0.843144165
   81   3.2800   0.1700  -0.468500   1.8540   1.6400   0.005000000   0.000000000
   82   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   320.000  1.410
   43    48   325.000  1.672
   48    49   325.000  1.672
   48    50   325.000  1.672
   41    42   340.000  1.090
   41    44   268.000  1.529
   41    46   320.000  1.410
   44    45   340.000  1.090
   44    51   268.000  1.529
   44    54   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   382.000  1.448
   56    57   481.000  1.340
   56    58   445.000  1.380
   57    59   469.000  1.400
   57    80   469.000  1.400
   59    60   367.000  1.080
   59    62   469.000  1.400
   62    65   469.000  1.400
   62    68   317.000  1.510
   65    72   469.000  1.400
   65    76   317.000  1.510
   72    73   367.000  1.080
   72    80   469.000  1.400
   80    81   400.000  1.385
   81    82   500.000  1.261
   82    58   270.000  1.479
   82    74   270.000  1.486
   58    61   650.000  1.285
   61    63   415.000  1.368
   63    64   570.000  1.229
   63    66   490.000  1.335
   66    67   434.000  1.010
   66    74   490.000  1.335
   74    75   570.000  1.229
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   54    55   553.000  0.945
   46    47   553.000  0.945
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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    50.00000  109.50000
   33    41    42    37.50000  110.70000
   33    41    44    58.35000  112.70000
   33    41    46    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    43    48   100.00000  120.50000
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   43    48    49    45.00000  102.60000
   43    48    50    45.00000  102.60000
   50    48    49    35.00000   94.00000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    44    45    37.50000  110.70000
   41    44    51    58.35000  112.70000
   41    44    54    50.00000  109.50000
   41    46    47    55.00000  108.50000
   44    41    42    37.50000  110.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    56    80.00000  111.61500
   44    54    55    55.00000  108.50000
   51    44    45    37.50000  110.70000
   51    56    57    50.00000  120.00000
   51    56    58    50.00000  119.50000
   53    51    52    33.00000  107.80000
   56    51    52    35.00000  109.50000
   56    51    53    35.00000  109.50000
   56    57    59    70.00000  120.10000
   56    57    80    70.00000  120.10000
   56    58    82    75.00000  117.28700
   56    58    61    75.00000  124.36500
   57    59    60    35.00000  120.00000
   57    59    62    63.00000  120.00000
   57    80    72    63.00000  120.00000
   57    80    81    70.00000  120.44500
   59    62    65    63.00000  120.00000
   59    62    68    70.00000  120.00000
   62    59    60    35.00000  120.00000
   62    65    72    63.00000  120.00000
   62    65    76    70.00000  120.00000
   62    68    69    35.00000  109.50000
   62    68    70    35.00000  109.50000
   62    68    71    35.00000  109.50000
   65    72    73    35.00000  120.00000
   65    72    80    63.00000  120.00000
   65    76    77    35.00000  109.50000
   65    76    78    35.00000  109.50000
   65    76    79    35.00000  109.50000
   72    80    81    70.00000  120.44500
   80    57    59    63.00000  120.00000
   80    72    73    35.00000  120.00000
   80    81    82    70.00000  113.96500
   81    82    58    65.00000  122.46400
   81    82    74    65.00000  123.79500
   82    58    61    65.00000  122.46400
   82    74    66    75.00000  109.57000
   82    74    75    80.00000  120.45000
   58    56    57    50.00000  129.40000
   58    61    63    75.00000  109.13600
   61    63    64    80.00000  126.08800
   61    63    66    90.00000  112.94000
   63    66    67    35.00000  119.80000
   63    66    74    70.00000  121.37400
   66    63    64    80.00000  122.90000
   66    74    75    80.00000  122.90000
   74    82    58    70.00000  118.70000
   74    66    67    35.00000  119.80000
   76    65    72    70.00000  120.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   68    62    65    70.00000  120.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   54    44    45    35.00000  109.50000
   54    44    51    50.00000  109.50000
   46    41    42    35.00000  109.50000
   46    41    44    50.00000  109.50000
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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    44   0.44750  1.0 1.0
   29    33    41    44  -0.17800 -1.0 2.0
   29    33    41    44   0.20200  1.0 3.0
   29    33    41    46   0.56750  1.0 1.0
   29    33    41    46  -0.07550 -1.0 2.0
   29    33    41    46   0.20000  1.0 3.0
   33    38    43    48  -2.65550  1.0 1.0
   33    38    43    48  -0.22350 -1.0 2.0
   33    38    43    48   0.24150  1.0 3.0
   33    41    44    45   0.15000  1.0 3.0
   33    41    44    51   0.56750  1.0 1.0
   33    41    44    51  -0.07550 -1.0 2.0
   33    41    44    51   0.20000  1.0 3.0
   33    41    44    54   0.86500  1.0 1.0
   33    41    44    54  -0.17500 -1.0 2.0
   33    41    44    54   0.20800  1.0 3.0
   33    41    46    47  -0.11600  1.0 1.0
   33    41    46    47  -0.09450 -1.0 2.0
   33    41    46    47   0.21250  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    43   0.23400  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    44   0.15000  1.0 3.0
   34    33    41    46   0.23400  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    44   0.56750  1.0 1.0
   38    33    41    44  -0.07550 -1.0 2.0
   38    33    41    44   0.20000  1.0 3.0
   38    33    41    46   0.86500  1.0 1.0
   38    33    41    46  -0.17500 -1.0 2.0
   38    33    41    46   0.20800  1.0 3.0
   38    43    48    49   0.05050  1.0 1.0
   38    43    48    49  -1.30700 -1.0 2.0
   38    43    48    49   0.91550  1.0 3.0
   38    43    48    50   0.05050  1.0 1.0
   38    43    48    50  -1.30700 -1.0 2.0
   38    43    48    50   0.91550  1.0 3.0
   39    38    43    48   0.03000  1.0 3.0
   40    38    43    48   0.03000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.62750  1.0 1.0
   41    33    38    43  -0.30950 -1.0 2.0
   41    33    38    43   0.27300  1.0 3.0
   41    44    51    52   0.15000  1.0 3.0
   41    44    51    53   0.15000  1.0 3.0
   41    44    51    56   1.26750  1.0 1.0
   41    44    51    56  -0.00950 -1.0 2.0
   41    44    51    56   0.30600  1.0 3.0
   41    44    54    55  -0.11600  1.0 1.0
   41    44    54    55  -0.09450 -1.0 2.0
   41    44    54    55   0.21250  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    51   0.15000  1.0 3.0
   42    41    44    54   0.23400  1.0 3.0
   42    41    46    47   0.19450  1.0 3.0
   44    41    46    47  -0.11600  1.0 1.0
   44    41    46    47  -0.09450 -1.0 2.0
   44    41    46    47   0.21250  1.0 3.0
   44    51    56    57  -0.12500  1.0 1.0
   44    51    56    57  -0.12500 -1.0 2.0
   44    51    56    57   0.25000  1.0 3.0
   44    51    56    58   0.38950  1.0 1.0
   44    51    56    58  -0.47050 -1.0 2.0
   44    51    56    58   0.83150  1.0 3.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    53   0.15000  1.0 3.0
   45    44    51    56   0.22950  1.0 3.0
   45    44    54    55   0.19450  1.0 3.0
   51    44    54    55  -0.11600  1.0 1.0
   51    44    54    55  -0.09450 -1.0 2.0
   51    44    54    55   0.21250  1.0 3.0
   51    56    57    59  -1.00000  1.0 1.0
   51    56    57    59   1.25000 -1.0 2.0
   51    56    57    80  -1.00000  1.0 1.0
   51    56    57    80   1.25000 -1.0 2.0
   51    56    58    82  -0.54700  1.0 1.0
   51    56    58    82   1.23000 -1.0 2.0
   51    56    58    61  -0.86000  1.0 1.0
   51    56    58    61   0.84650 -1.0 2.0
   52    51    56    57   0.00000  1.0 1.0
   52    51    56    58   0.00000  1.0 1.0
   53    51    56    57   0.00000  1.0 1.0
   53    51    56    58   0.00000  1.0 1.0
   56    57    59    60   3.62500 -1.0 2.0
   56    57    59    62   3.62500 -1.0 2.0
   56    57    80    72   3.62500 -1.0 2.0
   56    57    80    81   3.62500 -1.0 2.0
   56    58    61    63   6.00000 -1.0 2.0
   57    56    58    82  -0.54500  1.0 1.0
   57    56    58    82   1.14150 -1.0 2.0
   57    56    58    61  -1.45100  1.0 1.0
   57    56    58    61   1.83200 -1.0 2.0
   57    59    62    65   3.62500 -1.0 2.0
   57    59    62    68   3.62500 -1.0 2.0
   57    80   -81    82   1.25000 -1.0 2.0
   59    57    80    72   3.62500 -1.0 2.0
   59    57    80    81   3.62500 -1.0 2.0
   59    62   -65    72   3.62500 -1.0 2.0
   59    62    65    76   3.62500 -1.0 2.0
   59    62    68    69   0.00000  1.0 1.0
   59    62    68    70   0.00000  1.0 1.0
   59    62    68    71   0.00000  1.0 1.0
   60    59    62    65   3.62500 -1.0 2.0
   60    59    62    68   3.62500 -1.0 2.0
   62    65    72    73   3.62500 -1.0 2.0
   62    65    72    80   3.62500 -1.0 2.0
   62    65    76    77   0.00000  1.0 1.0
   62    65    76    78   0.00000  1.0 1.0
   62    65    76    79   0.00000  1.0 1.0
   65    62    68    69   0.00000  1.0 1.0
   65    62    68    70   0.00000  1.0 1.0
   65    62    68    71   0.00000  1.0 1.0
   65    72   -80    57   3.62500 -1.0 2.0
   65    72    80    81   3.62500 -1.0 2.0
   72    65    76    77   0.00000  1.0 1.0
   72    65    76    78   0.00000  1.0 1.0
   72    65    76    79   0.00000  1.0 1.0
   72    80    81    82   1.25000 -1.0 2.0
   73    72    80    57   3.62500 -1.0 2.0
   73    72    80    81   3.62500 -1.0 2.0
   80    57    59    60   3.62500 -1.0 2.0
   80    57   -59    62   3.62500 -1.0 2.0
   80    81    82    58   6.00000 -1.0 2.0
   80    81    82    74   6.00000 -1.0 2.0
   81    82   -58    56   7.00000 -1.0 2.0
   81    82    58    61   7.00000 -1.0 2.0
   81    82    74    66   1.50000 -1.0 2.0
   81    82    74    75   1.00000 -1.0 2.0
   82    58    61    63   6.00000 -1.0 2.0
   58    56    57    59  -0.02750  1.0 1.0
   58    56    57    59   0.06100 -1.0 2.0
   58    56   -57    80  -0.02750  1.0 1.0
   58    56   -57    80   0.06100 -1.0 2.0
   58    82    74    66   1.50000 -1.0 2.0
   58    82    74    75   1.00000 -1.0 2.0
   58    61    63    64   3.09300 -1.0 2.0
   58    61   -63    66  -5.73250  1.0 1.0
   58    61   -63    66   0.67550 -1.0 2.0
   61    63    66    67   2.56700 -1.0 2.0
   61    63    66    74   2.00000 -1.0 2.0
   63    66   -74    82   2.45000 -1.0 2.0
   63    66    74    75   2.22250 -1.0 2.0
   64    63    66    67   2.45000 -1.0 2.0
   64    63    66    74   2.22250 -1.0 2.0
   67    66    74    82   2.56700 -1.0 2.0
   67    66    74    75   2.45000 -1.0 2.0
   74    82    58    56   7.00000 -1.0 2.0
   74    82   -58    61   7.00000 -1.0 2.0
   76    65    72    73   3.62500 -1.0 2.0
   76    65    72    80   3.62500 -1.0 2.0
   68    62    65    72   3.62500 -1.0 2.0
   68    62    65    76   3.62500 -1.0 2.0
   54    44    51    52   0.23400  1.0 3.0
   54    44    51    53   0.23400  1.0 3.0
   54    44    51    56   4.07950  1.0 1.0
   54    44    51    56  -0.26450 -1.0 2.0
   54    44    51    56  -0.12150  1.0 3.0
   46    41    44    45   0.23400  1.0 3.0
   46    41    44    51   0.86500  1.0 1.0
   46    41    44    51  -0.17500 -1.0 2.0
   46    41    44    51   0.20800  1.0 3.0
   46    41    44    54   3.75450  1.0 1.0
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
   57    58    56    51   1.00000 -1.0 2.0
   59    80    57    56   4.00000 -1.0 2.0
   62    60    59    57   1.10000 -1.0 2.0
   65    68    62    59   4.00000 -1.0 2.0
   72    76    65    62   4.00000 -1.0 2.0
   80    73    72    65   1.10000 -1.0 2.0
   72    81    80    57   4.00000 -1.0 2.0
   58    74    82    81  10.50000 -1.0 2.0
   56    82    58    61  10.50000 -1.0 2.0
   61    66    63    64  10.50000 -1.0 2.0
   67    63    66    74   1.00000 -1.0 2.0
   82    66    74    75  10.50000 -1.0 2.0
END
