* LIGAND DATABASE FILE (OPLS2005)
*
001      82    82    147    212     430
    1     0 S   NP   _N1_     1    28.82504    94.61994   -24.87149
    2     1 S   H    _HN1     2     1.02950    83.41415     9.99499
    3     1 S   H    _H1_     3     1.02828    23.93806  -178.68107
    4     1 S   H    _H2_     4     1.02785   113.35803   -97.19932
    5     1 S   CT   _CA1     5     1.50103   124.37475   120.24980
    6     5 S   HC   _HA1     6     1.09574   105.20377    81.53771
    7     5 S   CO3  _C1_     7     1.53794   112.48355   -38.70100
    8     7 S   O2Z  _O11     8     1.26368   115.01313   -42.38933
    9     7 S   O2Z  _O12     9     1.26245   114.94687   136.80219
   10     5 S   CT   _CB1    10     1.53086   107.42738  -160.47998
   11    10 S   HC   HB11    11     1.09830   109.37953   -49.91480
   12    10 S   HC   HB12    12     1.09813   110.44516    66.70212
   13    10 S   CT   _CG1    13     1.52970   112.58394  -170.90659
   14    13 S   HC   HG11    14     1.09586   110.60401   -65.29785
   15    13 S   HC   HG12    15     1.09676   109.81527    53.91276
   16    13 S   C    _CD1    16     1.51796   112.30401   174.36744
   17    16 S   O    _OE1    17     1.22713   123.34903     5.39263
   18    16 S   N    _N2_    18     1.38642   111.55304  -174.58756
   19    18 S   H    _HN2    19     1.01505   118.80747     1.71189
   20    18 S   CT1  _CA2    20     1.46182   123.51531   177.84569
   21    20 S   HC   _HA2    21     1.09714   109.27422     5.14472
   22    20 S   C    _C2_    22     1.53627   108.99701  -110.71520
   23    22 S   O    _O2_    23     1.23068   122.21026  -150.75187
   24    20 S   CT   _CB2    32     1.53328   111.64065   127.12382
   25    24 S   HC   HB21    33     1.09596   109.96146    59.30336
   26    24 S   HC   HB22    34     1.09421   109.78114   177.97339
   27    22 S   N    _N3_    24     1.38253   113.95141    36.32992
   28    27 S   H    _HN3    25     1.01564   119.61471    -2.85869
   29    24 S   S    _SG2    35     1.82880   111.90977   -61.53333
   30    27 S   CT   _CA3    26     1.45268   123.17316   177.89271
   31    30 S   HC   HA31    27     1.09546   107.49385   -65.54157
   32    30 S   HC   HA32    28     1.09564   108.01073    50.92179
   33    29 S   CT   _C13    36     1.84114    99.30940   175.17988
   34    33 S   HC   _H8_    37     1.09695   105.77599   -42.39653
   35    30 S   CO3  _C3_    29     1.52945   114.04468   172.88200
   36    35 S   O2Z  _O31    30     1.26377   116.05555    -1.38239
   37    35 S   O2Z  _O32    31     1.26423   114.41295   178.69464
   38    33 S   CT   _C12    38     1.54644   110.50838  -157.86802
   39    38 S   HC   _H7_    39     1.09754   108.91371    58.40946
   40    38 S   CT   _C11    40     1.53887   110.60207   178.63771
   41    40 S   HC   _H6_    41     1.09671   110.42949   173.16611
   42    38 S   OH   _O40    81     1.42593   111.32747   -60.26291
   43    42 S   HO   _H18    82     0.97218   107.75482   174.27954
   44    40 S   CT   _C10    42     1.54086   111.25981    52.76967
   45    44 S   HC   _H5_    43     1.09708   108.52329    66.60422
   46    40 S   OH   _O41    79     1.42664   109.62193   -69.44465
   47    46 S   HO   _H19    80     0.97219   107.79188   -60.62299
   48    44 S   CT   _C9_    44     1.53967   113.47244   -53.85173
   49    48 S   HC   _H4_    45     1.09700   108.23546   175.99376
   50    44 S   OH   _O42    77     1.42720   110.54896  -177.07986
   51    50 S   HO   _H20    78     0.97168   107.80865   -49.50629
   52    33 S   CT   _C14    46     1.54500   111.92715    75.65662
   53    52 S   HC   _H9_    47     1.09318   109.17719   -57.78534
   54    48 S   OS   _O38    50     1.42685   109.82135   -65.51060
   55    52 S   OH   _O39    48     1.42628   111.28298    60.39731
   56    55 S   HO   _H17    49     0.97261   107.41670  -174.82975
   57    54 S   P2   _P1_    51     1.63329   119.08297  -146.46714
   58    57 S   O2Z  _O37    52     1.51247   108.59315    73.34340
   59    57 S   O2Z  _O36    53     1.51228   109.42512   -60.08057
   60    57 S   OS   _O35    54     1.63311    98.95598  -174.04023
   61    60 S   CT   _C8_    55     1.42651   120.02615    60.92859
   62    61 S   HC   _H15    56     1.09437   106.73066  -126.47012
   63    61 S   HC   _H16    57     1.09524   110.16810    -8.77543
   64    61 S   CT   _C7_    58     1.52893   109.07454   113.78996
   65    64 S   HC   _H3_    59     1.09716   109.37262    40.68415
   66    64 S   CT   _C6_    60     1.53071   112.01796   163.00494
   67    66 S   HC   _H13    61     1.09626   109.74934   -65.04482
   68    66 S   HC   _H14    62     1.09569   110.34460   174.33362
   69    64 S   OS   _O43    70     1.44672   107.07902   -77.57887
   70    66 S   OS   _O34    63     1.43843   109.83724    55.05867
   71    69 S   CO4  _C15    71     1.36066   117.73118   154.00807
   72    71 S   O    _O44    72     1.22334   126.38785     1.11855
   73    70 S   CO4  _C5_    64     1.36269   115.29985  -177.19328
   74    73 S   O    _O33    65     1.22348   126.22573     0.37846
   75    71 S   CT   _C16    73     1.49832   109.50730  -179.58646
   76    75 S   HC   _H21    74     1.09258   109.77290   -65.41034
   77    75 S   HC   _H22    75     1.09376   109.34851   175.32467
   78    75 S   HC   _H23    76     1.09302   109.92446    56.51868
   79    73 S   CT   _C4_    66     1.49757   109.72554  -178.67470
   80    79 S   HC   _H10    67     1.09317   109.99851   -50.95436
   81    79 S   HC   _H11    68     1.09369   109.38561  -169.53587
   82    79 S   HC   _H12    69     1.09195   109.59937    70.99334
  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  14   7  13   7   4   1  12   7   3   1  12
   6   3   1   5   3   6   1   1   7   3   2   7  10   5   4  10
   6   8   4   3   7   6   5   4   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    52    53    55    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    52    53    55    56    54    46    42    43  
   38    39    40    48    52    53    55    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    52    53    55    50    46    47    42    43  
   40    41    44    52    46    42    43  
   41    44    45    48    49    52    54    50    51    46    47    42    43  
   44    45    48    50    46    47    42  
   43    44    46    52  
    0  
   45    48    49    52    53    55    54    57    50    51    46    47  
   48    49    52    54    50    51    46  
   47    48    50  
    0  
   49    52    53    55    56    54    57    58    59    60    50    51  
   52    53    55    54    57    50  
   51    52    54  
    0  
   53    55    56    54    57  
   55    56    54  
   57    58    59    60    61    55  
   56  
    0  
   58    59    60    61    62    63    64  
   59    60    61  
   60    61  
   61    62    63    64    65    66    69  
   62    63    64    65    66    67    68    70    69    71  
   63    64    65    66    69  
   64    65    66    69  
   65    66    67    68    70    73    69    71    72    75  
   66    67    68    70    69    71  
   67    68    70    73    74    79    69    71  
   68    70    73    69  
   70    73    69  
   71    72    75    76    77    78    70  
   73    74    79    80    81    82  
   72    75    76    77    78  
   75    76    77    78  
   74    79    80    81    82  
   79    80    81    82  
   76    77    78  
   77    78  
   78  
    0  
   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   0.205000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.7400   0.2000   1.760000   2.1070   1.8700   0.005000000   0.000000000
   58   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   59   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   60   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    52   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    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    50   320.000  1.410
   48    49   340.000  1.090
   48    52   268.000  1.529
   48    54   320.000  1.410
   52    53   340.000  1.090
   52    55   320.000  1.410
   55    56   553.000  0.945
   54    57   230.000  1.697
   57    58   525.000  1.480
   57    59   525.000  1.480
   57    60   230.000  1.697
   60    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    69   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    70   320.000  1.410
   70    73   214.000  1.327
   73    74   570.000  1.229
   73    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   69    71   214.000  1.327
   71    72   570.000  1.229
   71    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   50    51   553.000  0.945
   46    47   553.000  0.945
   42    43   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    52    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    52    48    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    55    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    48    58.35000  112.70000
   40    44    50    50.00000  109.50000
   40    46    47    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    52    58.35000  112.70000
   44    48    54    50.00000  109.50000
   44    50    51    55.00000  108.50000
   48    44    45    37.50000  110.70000
   48    52    53    37.50000  110.70000
   48    52    55    50.00000  109.50000
   48    54    57   100.00000  120.50000
   52    33    34    37.50000  110.70000
   52    33    38    58.35000  112.70000
   52    48    49    37.50000  110.70000
   52    55    56    55.00000  108.50000
   55    52    53    35.00000  109.50000
   54    48    49    35.00000  109.50000
   54    48    52    50.00000  109.50000
   54    57    58   100.00000  108.23000
   54    57    59   100.00000  108.23000
   54    57    60    45.00000  102.60000
   57    60    61   100.00000  120.50000
   59    57    58   140.00000  119.90000
   60    57    58   100.00000  108.23000
   60    57    59   100.00000  108.23000
   60    61    62    35.00000  109.50000
   60    61    63    35.00000  109.50000
   60    61    64    50.00000  109.50000
   61    64    65    37.50000  110.70000
   61    64    66    58.35000  112.70000
   61    64    69    50.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    66    67    37.50000  110.70000
   64    66    68    37.50000  110.70000
   64    66    70    50.00000  109.50000
   64    69    71    83.00000  116.90000
   66    64    65    37.50000  110.70000
   66    70    73    83.00000  116.90000
   68    66    67    33.00000  107.80000
   70    66    67    35.00000  109.50000
   70    66    68    35.00000  109.50000
   70    73    74    83.00000  123.40000
   70    73    79    81.00000  111.40000
   73    79    80    35.00000  109.50000
   73    79    81    35.00000  109.50000
   73    79    82    35.00000  109.50000
   79    73    74    80.00000  120.40000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   69    64    65    35.00000  109.50000
   69    64    66    50.00000  109.50000
   69    71    72    83.00000  123.40000
   69    71    75    81.00000  111.40000
   71    75    76    35.00000  109.50000
   71    75    77    35.00000  109.50000
   71    75    78    35.00000  109.50000
   75    71    72    80.00000  120.40000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    48    50.00000  109.50000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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    52    48   0.44750  1.0 1.0
   29    33    52    48  -0.17800 -1.0 2.0
   29    33    52    48   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    55   0.56750  1.0 1.0
   29    33    52    55  -0.07550 -1.0 2.0
   29    33    52    55   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.86500  1.0 1.0
   33    38    40    46  -0.17500 -1.0 2.0
   33    38    40    46   0.20800  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    52    55    56  -0.11600  1.0 1.0
   33    52    55    56  -0.09450 -1.0 2.0
   33    52    55    56   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    42   0.23400  1.0 3.0
   34    33    52    48   0.15000  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    55   0.23400  1.0 3.0
   38    33    52    48   0.56750  1.0 1.0
   38    33    52    48  -0.07550 -1.0 2.0
   38    33    52    48   0.20000  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    55   0.86500  1.0 1.0
   38    33    52    55  -0.17500 -1.0 2.0
   38    33    52    55   0.20800  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    48   0.56750  1.0 1.0
   38    40   -44    48  -0.07550 -1.0 2.0
   38    40   -44    48   0.20000  1.0 3.0
   38    40    44    50   0.86500  1.0 1.0
   38    40    44    50  -0.17500 -1.0 2.0
   38    40    44    50   0.20800  1.0 3.0
   38    40    46    47  -0.11600  1.0 1.0
   38    40    46    47  -0.09450 -1.0 2.0
   38    40    46    47   0.21250  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    48    49   0.15000  1.0 3.0
   40    44    48    52   0.56750  1.0 1.0
   40    44    48    52  -0.07550 -1.0 2.0
   40    44    48    52   0.20000  1.0 3.0
   40    44    48    54   0.62750  1.0 1.0
   40    44    48    54  -0.30950 -1.0 2.0
   40    44    48    54   0.27300  1.0 3.0
   40    44    50    51  -0.11600  1.0 1.0
   40    44    50    51  -0.09450 -1.0 2.0
   40    44    50    51   0.21250  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    48   0.15000  1.0 3.0
   41    40    44    50   0.23400  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   44    40    46    47  -0.11600  1.0 1.0
   44    40    46    47  -0.09450 -1.0 2.0
   44    40    46    47   0.21250  1.0 3.0
   44    48   -52    33   0.56750  1.0 1.0
   44    48   -52    33  -0.07550 -1.0 2.0
   44    48   -52    33   0.20000  1.0 3.0
   44    48    52    53   0.15000  1.0 3.0
   44    48    52    55   0.86500  1.0 1.0
   44    48    52    55  -0.17500 -1.0 2.0
   44    48    52    55   0.20800  1.0 3.0
   44    48    54    57  -2.65550  1.0 1.0
   44    48    54    57  -0.22350 -1.0 2.0
   44    48    54    57   0.24150  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    52   0.15000  1.0 3.0
   45    44    48    54   0.23400  1.0 3.0
   45    44    50    51   0.19450  1.0 3.0
   48    44    50    51  -0.11600  1.0 1.0
   48    44    50    51  -0.09450 -1.0 2.0
   48    44    50    51   0.21250  1.0 3.0
   48    52    55    56  -0.11600  1.0 1.0
   48    52    55    56  -0.09450 -1.0 2.0
   48    52    55    56   0.21250  1.0 3.0
   48    54    57    58   0.00000  1.0 1.0
   48    54    57    59   0.00000  1.0 1.0
   48    54    57    60   0.05050  1.0 1.0
   48    54    57    60  -1.30700 -1.0 2.0
   48    54    57    60   0.91550  1.0 3.0
   49    48    52    33   0.15000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    55   0.23400  1.0 3.0
   49    48    54    57   0.03000  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33   -38    40   0.56750  1.0 1.0
   52    33   -38    40  -0.07550 -1.0 2.0
   52    33   -38    40   0.20000  1.0 3.0
   52    33    38    42   0.86500  1.0 1.0
   52    33    38    42  -0.17500 -1.0 2.0
   52    33    38    42   0.20800  1.0 3.0
   52    48    54    57  -2.65550  1.0 1.0
   52    48    54    57  -0.22350 -1.0 2.0
   52    48    54    57   0.24150  1.0 3.0
   53    52    55    56   0.19450  1.0 3.0
   54    48    52    33   0.62750  1.0 1.0
   54    48    52    33  -0.30950 -1.0 2.0
   54    48    52    33   0.27300  1.0 3.0
   54    48    52    53   0.23400  1.0 3.0
   54    48    52    55   3.69350  1.0 1.0
   54    48    52    55  -1.82950 -1.0 2.0
   54    57    60    61   0.05050  1.0 1.0
   54    57    60    61  -1.30700 -1.0 2.0
   54    57    60    61   0.91550  1.0 3.0
   57    60    61    62   0.03000  1.0 3.0
   57    60    61    63   0.03000  1.0 3.0
   57    60    61    64  -2.65550  1.0 1.0
   57    60    61    64  -0.22350 -1.0 2.0
   57    60    61    64   0.24150  1.0 3.0
   58    57    60    61   0.00000  1.0 1.0
   59    57    60    61   0.00000  1.0 1.0
   60    61    64    65   0.23400  1.0 3.0
   60    61    64    66   0.62750  1.0 1.0
   60    61    64    66  -0.30950 -1.0 2.0
   60    61    64    66   0.27300  1.0 3.0
   60    61    64    69   1.11900  1.0 1.0
   60    61    64    69  -1.16350 -1.0 2.0
   60    61    64    69  -0.34150  1.0 3.0
   61    64    66    67   0.15000  1.0 3.0
   61    64    66    68   0.15000  1.0 3.0
   61    64    66    70   0.62750  1.0 1.0
   61    64    66    70  -0.30950 -1.0 2.0
   61    64    66    70   0.27300  1.0 3.0
   61    64    69    71  -0.25900  1.0 1.0
   61    64    69    71  -0.47000 -1.0 2.0
   61    64    69    71   0.11750  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    69   0.23400  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    69   0.23400  1.0 3.0
   64    66    70    73  -0.25900  1.0 1.0
   64    66    70    73  -0.47000 -1.0 2.0
   64    66    70    73   0.11750  1.0 3.0
   64    69    71    72   3.00000 -1.0 2.0
   64    69    71    75   1.63150  1.0 1.0
   64    69    71    75   2.92000 -1.0 2.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    70   0.23400  1.0 3.0
   65    64    69    71   0.08050  1.0 3.0
   66    64    69    71  -0.25900  1.0 1.0
   66    64    69    71  -0.47000 -1.0 2.0
   66    64    69    71   0.11750  1.0 3.0
   66    70    73    74   3.00000 -1.0 2.0
   66    70    73    79   1.63150  1.0 1.0
   66    70    73    79   2.92000 -1.0 2.0
   67    66    70    73   0.08050  1.0 3.0
   68    66    70    73   0.08050  1.0 3.0
   70    73    79    80   0.00000  1.0 1.0
   70    73    79    81   0.00000  1.0 1.0
   70    73    79    82   0.00000  1.0 1.0
   74    73    79    80   0.00000  1.0 1.0
   74    73    79    81   0.00000  1.0 1.0
   74    73    79    82   0.00000  1.0 1.0
   69    64    66    67   0.23400  1.0 3.0
   69    64    66    68   0.23400  1.0 3.0
   69    64    66    70   1.11900  1.0 1.0
   69    64    66    70  -1.16350 -1.0 2.0
   69    64    66    70  -0.34150  1.0 3.0
   69    71    75    76   0.00000  1.0 1.0
   69    71    75    77   0.00000  1.0 1.0
   69    71    75    78   0.00000  1.0 1.0
   72    71    75    76   0.00000  1.0 1.0
   72    71    75    77   0.00000  1.0 1.0
   72    71    75    78   0.00000  1.0 1.0
   50    44    48    49   0.23400  1.0 3.0
   50    44    48    52   0.86500  1.0 1.0
   50    44    48    52  -0.17500 -1.0 2.0
   50    44    48    52   0.20800  1.0 3.0
   50    44    48    54   3.69350  1.0 1.0
   50    44    48    54  -1.82950 -1.0 2.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    48   0.86500  1.0 1.0
   46    40    44    48  -0.17500 -1.0 2.0
   46    40    44    48   0.20800  1.0 3.0
   46    40    44    50   3.75450  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   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
   70    79    73    74  10.50000 -1.0 2.0
   69    75    71    72  10.50000 -1.0 2.0
END
