* LIGAND DATABASE FILE (OPLS2005)
*
001      82    82    145    200     418
    1     0 S   NP   _N1_     1    28.91506    98.21790   -22.71753
    2     1 S   H    _HN1     2     1.02785   110.84535  -113.07889
    3     1 S   H    _H1_     3     1.02943    61.99150   -12.62542
    4     1 S   H    _H2_     4     1.02824    46.40934   151.56123
    5     1 S   CT   _CA1     5     1.50144   136.09194    78.27477
    6     5 S   HC   _HA1     6     1.09559   105.16347   107.05352
    7     5 S   CO3  _C1_     7     1.53908   112.76458   -13.15561
    8     7 S   O2Z  _O11     8     1.26396   114.95214   -31.70494
    9     7 S   O2Z  _O12     9     1.26256   115.02627   147.55753
   10     5 S   CT   _CB1    10     1.53082   107.44554  -134.58426
   11    10 S   HC   HB11    11     1.09830   109.76191   -45.58564
   12    10 S   HC   HB12    12     1.09812   110.24804    71.18692
   13    10 S   CT   _CG1    13     1.52907   112.46254  -166.38053
   14    13 S   HC   HG11    14     1.09515   110.73744   -64.11159
   15    13 S   HC   HG12    15     1.09652   109.73732    55.21270
   16    13 S   C    _CD1    16     1.51614   112.29976   176.41199
   17    16 S   O    _OE1    17     1.22733   123.27500    14.20405
   18    16 S   N    _N2_    18     1.38567   111.61258  -166.89164
   19    18 S   H    _HN2    19     1.01636   119.03461     3.84318
   20    18 S   CT1  _CA2    20     1.46203   123.54949  -177.24764
   21    20 S   HC   _HA2    21     1.09734   109.07369    11.02419
   22    20 S   C    _C2_    22     1.53603   109.80018  -105.04359
   23    22 S   O    _O2_    23     1.23096   122.07581  -152.40415
   24    20 S   CT   _CB2    32     1.53345   110.84324   132.37850
   25    24 S   HC   HB21    33     1.09530   109.44859    60.59229
   26    24 S   HC   HB22    34     1.09504   110.75877   179.11618
   27    22 S   N    _N3_    24     1.38279   114.11269    35.20159
   28    27 S   H    _HN3    25     1.01525   119.64625    -3.70496
   29    24 S   S    _SG2    35     1.83068   111.24363   -61.02915
   30    27 S   CT   _CA3    26     1.45283   123.20245   177.02625
   31    30 S   HC   HA31    27     1.09553   107.56447   -62.93997
   32    30 S   HC   HA32    28     1.09558   107.91619    53.47978
   33    29 S   CT   _C8_    36     1.84068    99.72697   142.57606
   34    33 S   HC   _H7_    37     1.09697   106.15635   -48.75495
   35    30 S   CO3  _C3_    29     1.52961   114.11710   175.42337
   36    35 S   O2Z  _O31    30     1.26378   116.10975    -0.90525
   37    35 S   O2Z  _O32    31     1.26438   114.41276   179.12374
   38    33 S   CT   _C9_    38     1.54265   111.55592    69.31012
   39    38 S   HC   _H8_    39     1.09416   110.77768   -44.60605
   40    38 S   CT   _C4_    40     1.53846   112.19676    77.66266
   41    40 S   HC   _H3_    41     1.09670   109.42119   -66.01215
   42    38 S   OS   _O33    77     1.43132   108.40475  -161.21479
   43    40 S   CT   _C5_    42     1.53773   112.91324    54.12281
   44    43 S   HC   _H4_    43     1.09628   107.54317  -176.62055
   45    40 S   OS   _O52    71     1.42720   110.49064   175.46447
   46    42 S   P2   _P1_    78     1.62990   118.84391   100.85161
   47    46 S   O2Z  _O36    79     1.51117   109.75180   -60.64771
   48    46 S   O2Z  _O34    80     1.51235   109.17744    74.04990
   49    43 S   CT   _C6_    44     1.53590   111.02458   -55.83969
   50    49 S   HC   _H5_    45     1.09681   108.97156   172.01230
   51    43 S   OS   _O48    64     1.42621   110.01014    65.72151
   52    45 S   P2   _P6_    72     1.63031   120.73495    81.94225
   53    52 S   O2Z  _O55    73     1.51150   111.26433   -14.30957
   54    52 S   O2Z  _O53    74     1.51244   108.24994   120.81232
   55    46 S   OS   _O35    81     1.62998    98.22193  -173.02700
   56    55 S   HO   _H9_    82     0.97962   115.81806    75.02368
   57    33 S   CT   _C7_    46     1.54914   111.03470  -163.84103
   58    57 S   HC   _H6_    47     1.09743   109.15834    42.38670
   59    49 S   OS   _O44    58     1.42614   108.79444   -68.89119
   60    51 S   P1   _P5_    65     1.61203   119.51501   140.75132
   61    60 S   O2Z  _O49    66     1.49902   115.59945    56.31929
   62    52 S   OS   _O54    75     1.63042    97.86689  -127.31799
   63    62 S   HO   _H14    76     0.98536   116.37571    67.83548
   64    57 S   OS   _O37    48     1.43191   107.01426   159.61584
   65    59 S   P2   _P4_    59     1.62973   119.19143   -97.61862
   66    65 S   O2Z  _O47    60     1.51082   109.83389    64.82890
   67    65 S   O2Z  _O45    61     1.51080   109.26579   -70.49248
   68    60 S   OS   _O50    67     1.61351   104.38132   -70.46281
   69    68 S   HO   _H12    68     0.97855   117.93283   168.35862
   70    60 S   OS   _O51    69     1.61385   103.60682  -177.95953
   71    70 S   HO   _H13    70     0.97853   117.80301  -166.51938
   72    64 S   P2   _P2_    49     1.63134   120.89793  -122.71405
   73    72 S   O2Z  _O39    50     1.51249   108.92489   -51.34141
   74    72 S   O2Z  _O38    51     1.51313   107.51684   176.23735
   75    65 S   OS   _O46    62     1.63062    98.40597   177.38042
   76    75 S   HO   _H11    63     0.97834   116.14847   173.27223
   77    72 S   OS   _O40    52     1.62992    99.48451    62.68129
   78    77 S   P2   _P3_    53     1.62679   129.57815   159.30597
   79    78 S   O2Z  _O43    54     1.51167   109.90642   -83.34298
   80    78 S   O2Z  _O41    55     1.51158   109.43413    51.59058
   81    78 S   OS   _O42    56     1.63158    98.94360   163.63776
   82    81 S   HO   _H10    57     0.98386   116.13329   -92.82624
  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
  16   8   2   1   1  17   7  16   7   8  15   7   7   4   3   2
  12   6   8   4   3   2   1   1   8   3   6   5   4   1   1   5
   4   3   2   3   1   1   1   7   3   2   1   1   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    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    57    58    64    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    49    50    57    58    64    72    59    45    42    46  
   38    39    40    49    57    58    64    42  
   36    37  
   37  
    0  
   39    40    41    43    44    49    57    58    64    51    45    52    42    46    47    48    55  
   40    41    43    57    45    42    46  
   41    43    44    49    50    57    59    51    60    45    52    53    54    62    42    46  
   43    44    49    51    45    52    42  
   46    47    48    55    56    43    45    57  
   44    49    50    57    58    64    59    65    51    60    61    68    70    45    52  
   49    50    57    59    51    60    45  
   52    53    54    62    63    49    51  
   47    48    55    56  
   48    55    56  
   55    56  
   50    57    58    64    72    59    65    66    67    75    51    60  
   57    58    64    59    65    51  
   60    61    68    69    70    71    57    59  
   53    54    62    63  
   54    62    63  
   62    63  
   56  
    0  
   58    64    72    73    74    77    59    65  
   64    72    59  
   65    66    67    75    76    64  
   61    68    69    70    71  
   68    69    70    71  
   63  
    0  
   72    73    74    77    78  
   66    67    75    76  
   67    75    76  
   75    76  
   69    70    71  
   70  
   71  
    0  
   73    74    77    78    79    80    81  
   74    77    78  
   77    78  
   76  
    0  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82  
   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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.212900   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   47   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   48   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   49   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.8500   0.1400  -0.461100   1.7660   1.5600   0.020110767  -0.896042159
   52   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   53   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   54   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   55   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.7400   0.2000   1.230700   2.1070   1.8700   0.005000000   0.000000000
   61   2.9800   0.2000  -0.666100   1.6890   1.4900   0.001000000  -0.126889456
   62   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   64   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   66   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   67   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   68   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   70   2.8500   0.1400  -0.568200   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   73   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   74   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   75   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   77   2.8500   0.1400  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   78   3.7400   0.2000   1.263600   2.1070   1.8700   0.005000000   0.000000000
   79   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   80   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   81   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.380000   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    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    57   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    49   268.000  1.529
   43    51   320.000  1.410
   49    50   340.000  1.090
   49    57   268.000  1.529
   49    59   320.000  1.410
   57    58   340.000  1.090
   57    64   320.000  1.410
   64    72   230.000  1.697
   72    73   525.000  1.480
   72    74   525.000  1.480
   72    77   230.000  1.697
   77    78   230.000  1.697
   78    79   525.000  1.480
   78    80   525.000  1.480
   78    81   230.000  1.697
   81    82   553.000  0.945
   59    65   230.000  1.697
   65    66   525.000  1.480
   65    67   525.000  1.480
   65    75   230.000  1.697
   75    76   553.000  0.945
   51    60   405.000  1.623
   60    61   675.000  1.490
   60    68   405.000  1.623
   60    70   405.000  1.623
   68    69   553.000  0.945
   70    71   553.000  0.945
   45    52   230.000  1.697
   52    53   525.000  1.480
   52    54   525.000  1.480
   52    62   230.000  1.697
   62    63   553.000  0.945
   42    46   230.000  1.697
   46    47   525.000  1.480
   46    48   525.000  1.480
   46    55   230.000  1.697
   55    56   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    57    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    57    49    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    64    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    50.00000  109.50000
   38    42    46   100.00000  120.50000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    49    58.35000  112.70000
   40    43    51    50.00000  109.50000
   40    45    52   100.00000  120.50000
   43    40    41    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    57    58.35000  112.70000
   43    49    59    50.00000  109.50000
   43    51    60    75.00000  119.24600
   49    43    44    37.50000  110.70000
   49    57    58    37.50000  110.70000
   49    57    64    50.00000  109.50000
   49    59    65   100.00000  120.50000
   57    33    34    37.50000  110.70000
   57    33    38    58.35000  112.70000
   57    49    50    37.50000  110.70000
   57    64    72   100.00000  120.50000
   64    57    58    35.00000  109.50000
   64    72    73   100.00000  108.23000
   64    72    74   100.00000  108.23000
   64    72    77    45.00000  102.60000
   72    77    78    50.00000  132.62000
   74    72    73   140.00000  119.90000
   77    72    73   100.00000  108.23000
   77    72    74   100.00000  108.23000
   77    78    79   100.00000  108.23000
   77    78    80   100.00000  108.23000
   77    78    81    45.00000  102.60000
   78    81    82    45.00000  108.50000
   80    78    79   140.00000  119.90000
   81    78    79   100.00000  108.23000
   81    78    80   100.00000  108.23000
   59    49    50    35.00000  109.50000
   59    49    57    50.00000  109.50000
   59    65    66   100.00000  108.23000
   59    65    67   100.00000  108.23000
   59    65    75    45.00000  102.60000
   65    75    76    45.00000  108.50000
   67    65    66   140.00000  119.90000
   75    65    66   100.00000  108.23000
   75    65    67   100.00000  108.23000
   51    43    44    35.00000  109.50000
   51    43    49    50.00000  109.50000
   51    60    61   100.00000  115.86100
   51    60    68   120.00000  102.38000
   51    60    70   120.00000  102.38000
   60    68    69    50.00000  113.86100
   60    70    71    50.00000  113.86100
   68    60    61   100.00000  115.86100
   70    60    61   100.00000  115.86100
   70    60    68   120.00000  102.38000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   45    52    53   100.00000  108.23000
   45    52    54   100.00000  108.23000
   45    52    62    45.00000  102.60000
   52    62    63    45.00000  108.50000
   54    52    53   140.00000  119.90000
   62    52    53   100.00000  108.23000
   62    52    54   100.00000  108.23000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    46    47   100.00000  108.23000
   42    46    48   100.00000  108.23000
   42    46    55    45.00000  102.60000
   46    55    56    45.00000  108.50000
   48    46    47   140.00000  119.90000
   55    46    47   100.00000  108.23000
   55    46    48   100.00000  108.23000
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    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    57    49   0.44750  1.0 1.0
   29    33    57    49  -0.17800 -1.0 2.0
   29    33    57    49   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    64   0.56750  1.0 1.0
   29    33    57    64  -0.07550 -1.0 2.0
   29    33    57    64   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    45   0.62750  1.0 1.0
   33    38    40    45  -0.30950 -1.0 2.0
   33    38    40    45   0.27300  1.0 3.0
   33    38    42    46  -2.65550  1.0 1.0
   33    38    42    46  -0.22350 -1.0 2.0
   33    38    42    46   0.24150  1.0 3.0
   33    57    64    72  -2.65550  1.0 1.0
   33    57    64    72  -0.22350 -1.0 2.0
   33    57    64    72   0.24150  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    42   0.23400  1.0 3.0
   34    33    57    49   0.15000  1.0 3.0
   34    33    57    58   0.15000  1.0 3.0
   34    33    57    64   0.23400  1.0 3.0
   38    33    57    49   0.56750  1.0 1.0
   38    33    57    49  -0.07550 -1.0 2.0
   38    33    57    49   0.20000  1.0 3.0
   38    33    57    58   0.15000  1.0 3.0
   38    33    57    64   0.62750  1.0 1.0
   38    33    57    64  -0.30950 -1.0 2.0
   38    33    57    64   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    49   0.56750  1.0 1.0
   38    40   -43    49  -0.07550 -1.0 2.0
   38    40   -43    49   0.20000  1.0 3.0
   38    40    43    51   0.62750  1.0 1.0
   38    40    43    51  -0.30950 -1.0 2.0
   38    40    43    51   0.27300  1.0 3.0
   38    40    45    52  -2.65550  1.0 1.0
   38    40    45    52  -0.22350 -1.0 2.0
   38    40    45    52   0.24150  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    55   0.05050  1.0 1.0
   38    42    46    55  -1.30700 -1.0 2.0
   38    42    46    55   0.91550  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    46   0.03000  1.0 3.0
   40    38    42    46  -2.65550  1.0 1.0
   40    38    42    46  -0.22350 -1.0 2.0
   40    38    42    46   0.24150  1.0 3.0
   40    43    49    50   0.15000  1.0 3.0
   40    43    49    57   0.56750  1.0 1.0
   40    43    49    57  -0.07550 -1.0 2.0
   40    43    49    57   0.20000  1.0 3.0
   40    43    49    59   0.62750  1.0 1.0
   40    43    49    59  -0.30950 -1.0 2.0
   40    43    49    59   0.27300  1.0 3.0
   40    43    51    60  -2.65550  1.0 1.0
   40    43    51    60  -0.22350 -1.0 2.0
   40    43    51    60   0.24150  1.0 3.0
   40    45    52    53   0.00000  1.0 1.0
   40    45    52    54   0.00000  1.0 1.0
   40    45    52    62   0.05050  1.0 1.0
   40    45    52    62  -1.30700 -1.0 2.0
   40    45    52    62   0.91550  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    49   0.15000  1.0 3.0
   41    40    43    51   0.23400  1.0 3.0
   41    40    45    52   0.03000  1.0 3.0
   43    40    45    52  -2.65550  1.0 1.0
   43    40    45    52  -0.22350 -1.0 2.0
   43    40    45    52   0.24150  1.0 3.0
   43    49   -57    33   0.56750  1.0 1.0
   43    49   -57    33  -0.07550 -1.0 2.0
   43    49   -57    33   0.20000  1.0 3.0
   43    49    57    58   0.15000  1.0 3.0
   43    49    57    64   0.62750  1.0 1.0
   43    49    57    64  -0.30950 -1.0 2.0
   43    49    57    64   0.27300  1.0 3.0
   43    49    59    65  -2.65550  1.0 1.0
   43    49    59    65  -0.22350 -1.0 2.0
   43    49    59    65   0.24150  1.0 3.0
   43    51    60    61   0.00000  1.0 1.0
   43    51    60    68   0.91800  1.0 1.0
   43    51    60    68   0.22900 -1.0 2.0
   43    51    60    68   0.32050  1.0 3.0
   43    51    60    70   0.91800  1.0 1.0
   43    51    60    70   0.22900 -1.0 2.0
   43    51    60    70   0.32050  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    57   0.15000  1.0 3.0
   44    43    49    59   0.23400  1.0 3.0
   44    43    51    60   0.03000  1.0 3.0
   49    43    51    60  -2.65550  1.0 1.0
   49    43    51    60  -0.22350 -1.0 2.0
   49    43    51    60   0.24150  1.0 3.0
   49    57    64    72  -2.65550  1.0 1.0
   49    57    64    72  -0.22350 -1.0 2.0
   49    57    64    72   0.24150  1.0 3.0
   49    59    65    66   0.00000  1.0 1.0
   49    59    65    67   0.00000  1.0 1.0
   49    59    65    75   0.05050  1.0 1.0
   49    59    65    75  -1.30700 -1.0 2.0
   49    59    65    75   0.91550  1.0 3.0
   50    49    57    33   0.15000  1.0 3.0
   50    49    57    58   0.15000  1.0 3.0
   50    49    57    64   0.23400  1.0 3.0
   50    49    59    65   0.03000  1.0 3.0
   57    33    38    39   0.15000  1.0 3.0
   57    33   -38    40   0.56750  1.0 1.0
   57    33   -38    40  -0.07550 -1.0 2.0
   57    33   -38    40   0.20000  1.0 3.0
   57    33    38    42   0.62750  1.0 1.0
   57    33    38    42  -0.30950 -1.0 2.0
   57    33    38    42   0.27300  1.0 3.0
   57    49    59    65  -2.65550  1.0 1.0
   57    49    59    65  -0.22350 -1.0 2.0
   57    49    59    65   0.24150  1.0 3.0
   57    64    72    73   0.00000  1.0 1.0
   57    64    72    74   0.00000  1.0 1.0
   57    64    72    77   0.05050  1.0 1.0
   57    64    72    77  -1.30700 -1.0 2.0
   57    64    72    77   0.91550  1.0 3.0
   58    57    64    72   0.03000  1.0 3.0
   64    72    77    78   0.15000  1.0 3.0
   72    77    78    79   0.50000  1.0 3.0
   72    77    78    80   0.50000  1.0 3.0
   72    77    78    81   0.15000  1.0 3.0
   73    72    77    78   0.50000  1.0 3.0
   74    72    77    78   0.50000  1.0 3.0
   77    78    81    82   0.00000  1.0 1.0
   79    78    81    82   0.00000  1.0 1.0
   80    78    81    82   0.00000  1.0 1.0
   59    49    57    33   0.62750  1.0 1.0
   59    49    57    33  -0.30950 -1.0 2.0
   59    49    57    33   0.27300  1.0 3.0
   59    49    57    58   0.23400  1.0 3.0
   59    49    57    64   1.11900  1.0 1.0
   59    49    57    64  -1.16350 -1.0 2.0
   59    49    57    64  -0.34150  1.0 3.0
   59    65    75    76   0.00000  1.0 1.0
   66    65    75    76   0.00000  1.0 1.0
   67    65    75    76   0.00000  1.0 1.0
   51    43    49    50   0.23400  1.0 3.0
   51    43    49    57   0.62750  1.0 1.0
   51    43    49    57  -0.30950 -1.0 2.0
   51    43    49    57   0.27300  1.0 3.0
   51    43    49    59   1.11900  1.0 1.0
   51    43    49    59  -1.16350 -1.0 2.0
   51    43    49    59  -0.34150  1.0 3.0
   51    60    68    69  -0.22900  1.0 1.0
   51    60    68    69   0.09450 -1.0 2.0
   51    60    68    69  -0.07800  1.0 3.0
   51    60    70    71  -0.22900  1.0 1.0
   51    60    70    71   0.09450 -1.0 2.0
   51    60    70    71  -0.07800  1.0 3.0
   61    60    68    69   0.00000  1.0 1.0
   61    60    70    71   0.00000  1.0 1.0
   68    60    70    71  -0.22900  1.0 1.0
   68    60    70    71   0.09450 -1.0 2.0
   68    60    70    71  -0.07800  1.0 3.0
   70    60    68    69  -0.22900  1.0 1.0
   70    60    68    69   0.09450 -1.0 2.0
   70    60    68    69  -0.07800  1.0 3.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    49   0.62750  1.0 1.0
   45    40    43    49  -0.30950 -1.0 2.0
   45    40    43    49   0.27300  1.0 3.0
   45    40    43    51   1.11900  1.0 1.0
   45    40    43    51  -1.16350 -1.0 2.0
   45    40    43    51  -0.34150  1.0 3.0
   45    52    62    63   0.00000  1.0 1.0
   53    52    62    63   0.00000  1.0 1.0
   54    52    62    63   0.00000  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   1.11900  1.0 1.0
   42    38    40    45  -1.16350 -1.0 2.0
   42    38    40    45  -0.34150  1.0 3.0
   42    46    55    56   0.00000  1.0 1.0
   47    46    55    56   0.00000  1.0 1.0
   48    46    55    56   0.00000  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
END
