* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    141    229     418
    1     0 S   NP   _N1_     1    29.29705    99.02923   -20.36295
    2     1 S   H    _HN1     2     1.02947    56.14182    -1.17337
    3     1 S   H    _H1_     3     1.02828    59.94248   141.88515
    4     1 S   H    _H2_     4     1.02791    94.64932  -110.15041
    5     1 S   CT   _CA1     5     1.50134   153.18193    65.61662
    6     5 S   HC   _HA1     6     1.09580   105.18699   123.61717
    7     5 S   CO3  _C1_     7     1.53823   112.07272     3.48138
    8     7 S   O2Z  _O11     8     1.26369   115.03481   -50.00791
    9     7 S   O2Z  _O12     9     1.26219   114.92866   128.62834
   10     5 S   CT   _CB1    10     1.53057   107.33614  -118.56458
   11    10 S   HC   HB11    11     1.09840   109.48329   -48.99104
   12    10 S   HC   HB12    12     1.09802   110.49840    67.64647
   13    10 S   CT   _CG1    13     1.52979   112.50934  -169.82885
   14    13 S   HC   HG11    14     1.09516   110.61241   -64.49632
   15    13 S   HC   HG12    15     1.09640   109.66149    54.75525
   16    13 S   C    _CD1    16     1.51797   111.98170   175.17675
   17    16 S   O    _OE1    17     1.22777   123.10612    11.25967
   18    16 S   N    _N2_    18     1.38660   111.95378  -168.75475
   19    18 S   H    _HN2    19     1.01625   118.92126     0.86434
   20    18 S   CT1  _CA2    20     1.46218   123.20091   177.44503
   21    20 S   HC   _HA2    21     1.09723   109.09595     7.25685
   22    20 S   C    _C2_    22     1.53684   109.44395  -108.46395
   23    22 S   O    _O2_    23     1.23101   122.01438  -155.17219
   24    20 S   CT   _CB2    32     1.53391   111.86830   129.01055
   25    24 S   HC   HB21    33     1.09228   109.78844    63.71500
   26    24 S   HC   HB22    34     1.09565   110.11454  -179.18243
   27    22 S   N    _N3_    24     1.38226   114.13380    31.94738
   28    27 S   H    _HN3    25     1.01543   119.52298    -3.43541
   29    24 S   S    _SG2    35     1.83115   111.74193   -60.58279
   30    27 S   CT   _CA3    26     1.45261   123.34772   177.46881
   31    30 S   HC   HA31    27     1.09545   107.52281   -64.94100
   32    30 S   HC   HA32    28     1.09555   107.99999    51.53620
   33    29 S   CT   _C12    36     1.87071   101.55976   127.75367
   34    30 S   CO3  _C3_    29     1.52974   113.99955   173.52313
   35    34 S   O2Z  _O31    30     1.26387   116.06984    -0.13417
   36    34 S   O2Z  _O32    31     1.26422   114.42438   179.92867
   37    33 S   CM   _C21    37     1.51184   111.18861    60.38886
   38    33 S   CO4  _C11    72     1.52640   105.53988   -66.07272
   39    38 S   O    _O34    73     1.23074   120.72008   -63.59538
   40    37 S   CA   _C20    38     1.50567   112.56201    61.40043
   41    37 S   CMA  _C22    61     1.36712   125.02914  -128.41761
   42    41 S   OM   _O35    62     1.27131   126.58400  -164.74121
   43    40 S   CA   _C15    39     1.40875   119.04627    38.57127
   44    41 S   CA   _C9_    63     1.52204   114.96793    15.78040
   45    43 S   CA   _C16    40     1.41040   119.69292   176.01749
   46    45 S   HA   _H11    41     1.08897   119.23750  -178.67633
   47    43 S   CT   _C14    53     1.51299   122.12544    -7.24914
   48    47 S   HC   _H4_    54     1.09742   107.77394   124.06997
   49    44 S   CA   _C8_    64     1.41623   118.74550   167.88272
   50    49 S   HA   _H10    65     1.08887   121.07387     1.47909
   51    45 S   CA   _C17    42     1.39820   121.53199     3.08451
   52    33 S   CT   _C13    55     1.56044   110.66875   179.38770
   53    52 S   HC   _H3_    56     1.09823   109.96271    56.76337
   54    47 S   OH   _O38    59     1.43183   107.57341  -120.70759
   55    54 S   HO   _H17    60     0.97217   107.64721  -173.57908
   56    49 S   CA   _C7_    66     1.39275   122.36503  -177.75423
   57    56 S   HA   _H9_    67     1.08626   119.90345   179.85735
   58    51 S   CA   _C18    43     1.39479   118.62994     2.56056
   59    58 S   HA   _H12    44     1.08717   119.60952   175.75799
   60    51 S   CT   _C23    48     1.50020   120.63940   178.87656
   61    60 S   HC   _H14    49     1.09540   110.87226    29.98188
   62    60 S   HC   _H15    50     1.09544   110.72443   149.65743
   63    52 S   OH   _O39    57     1.44098   108.56918   171.61510
   64    63 S   HO   _H18    58     0.97230   107.65638  -171.35848
   65    56 S   CA   _C6_    68     1.38607   119.92756     0.72145
   66    65 S   HA   _H8_    69     1.08507   117.54823   178.94947
   67    40 S   CA   _C19    45     1.40933   123.06339  -137.29986
   68    60 S   OH   _O37    51     1.41925   109.15979   -90.20452
   69    68 S   HO   _H16    52     0.97212   107.02694   179.76097
   70    65 S   CA   _C5_    70     1.39717   120.11545    -0.61006
   71    67 S   OH   _O36    46     1.37269   119.95931     6.61509
   72    71 S   HO   _H13    47     0.97104   109.13126  -175.67473
   73    44 S   CA   _C10    71     1.40679   124.52546   -10.15745
   74    70 S   OS   _O33    74     1.37281   122.72078   177.92029
   75    74 S   CT   _C4_    75     1.42199   118.24019     1.81208
   76    75 S   HC   _H5_    76     1.09349   107.78462   179.34419
   77    75 S   HC   _H6_    77     1.09482   111.19505    61.62760
   78    75 S   HC   _H7_    78     1.09486   111.09790   -63.12883
  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  11   5   4   3
  18   2   1   1  17  13   4  16  10   3  14   8  13   4   9   5
   7   4   9   6   3   2   1   6   3   8   3   5   3   2   1   1
   5   3   2   1   1   6   1   1   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    47    52    53    63    41    73    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    43    67    47    48    52    53    63    64    54    41    42    44    70    73    38    39  
   35    36  
   36  
    0  
   40    43    45    58    67    71    47    52    53    63    41    42    44    49    73    38    39  
   39    74    40    41    44    47    49    52    53    63    65    70    73  
   44    52    70    73  
   43    45    46    51    58    59    67    71    72    47    48    52    54    41    42    44  
   42    44    49    50    56    70    73    43    52    67  
   44    49    73  
   45    46    51    58    67    71    60    47    48    52    53    63    54    55  
   49    50    56    57    65    70    73    74  
   46    51    58    59    67    60    61    62    68    47    48    52    54  
   51    58    60    47  
   48    52    53    63    64    54    55    51    67  
   52    53    63    54    55  
   50    56    57    65    66    70    73  
   56    57    65    73  
   58    59    67    71    60    61    62    68    69  
   53    63    64    54    55    73  
   63    64    54  
   55    63  
    0  
   57    65    66    70    73    74  
   65    66    70  
   59    67    71    72    60    61    62    68  
   67    71    60  
   61    62    68    69    67  
   62    68    69  
   68    69  
   64  
    0  
   66    70    73    74    75  
   70    73    74  
   71    72  
   69  
    0  
   73    74    75    76    77    78  
   72  
    0  
   74    75  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700  -0.077900   2.5000   1.7750   0.001000000  -0.843144165
   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   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660   0.197200   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.048000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.048000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.1200   0.1700  -0.633300   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   74   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    52   268.000  1.529
   33    38   317.000  1.522
   37    40   320.000  1.460
   37    41   465.000  1.376
   40    43   469.000  1.400
   40    67   469.000  1.400
   43    45   469.000  1.400
   43    47   317.000  1.510
   45    46   367.000  1.080
   45    51   469.000  1.400
   51    58   469.000  1.400
   51    60   317.000  1.510
   58    59   367.000  1.080
   58    67   469.000  1.400
   67    71   450.000  1.364
   71    72   553.000  0.945
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    68   320.000  1.410
   68    69   553.000  0.945
   47    48   340.000  1.090
   47    52   268.000  1.529
   47    54   320.000  1.410
   52    53   340.000  1.090
   52    63   320.000  1.410
   63    64   553.000  0.945
   54    55   553.000  0.945
   41    42   745.000  1.250
   41    44   320.000  1.460
   44    49   469.000  1.400
   44    73   469.000  1.400
   49    50   367.000  1.080
   49    56   469.000  1.400
   56    57   367.000  1.080
   56    65   469.000  1.400
   65    66   367.000  1.080
   65    70   469.000  1.400
   70    73   469.000  1.400
   70    74   450.000  1.364
   73    38   310.000  1.470
   38    39   570.000  1.229
   74    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    52    75.00000  111.63000
   29    33    38    75.00000  110.18000
   33    37    40    65.00000  118.87000
   33    37    41    70.00000  124.00000
   33    52    47    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    63    50.00000  109.50000
   33    38    73    65.00000  115.47100
   33    38    39    80.00000  120.40000
   37    40    43    60.00000  120.93500
   37    40    67    60.00000  120.93500
   37    41    42    65.00000  137.10300
   37    41    44    60.00000  123.20500
   40    43    45    63.00000  120.00000
   40    43    47    70.00000  120.00000
   40    67    58    63.00000  120.00000
   40    67    71    70.00000  120.00000
   43    45    46    35.00000  120.00000
   43    45    51    63.00000  120.00000
   43    47    48    35.00000  109.50000
   43    47    52    70.00000  112.17500
   43    47    54    90.00000  112.51600
   45    51    58    63.00000  120.00000
   45    51    60    70.00000  120.00000
   51    45    46    35.00000  120.00000
   51    58    59    35.00000  120.00000
   51    58    67    63.00000  120.00000
   51    60    61    35.00000  109.50000
   51    60    62    35.00000  109.50000
   51    60    68    90.00000  112.51600
   58    67    71    70.00000  120.00000
   67    40    43    63.00000  120.00000
   67    58    59    35.00000  120.00000
   67    71    72    35.00000  113.00000
   60    51    58    70.00000  120.00000
   60    68    69    55.00000  108.50000
   62    60    61    33.00000  107.80000
   68    60    61    35.00000  109.50000
   68    60    62    35.00000  109.50000
   47    43    45    70.00000  120.00000
   47    52    53    37.50000  110.70000
   47    52    63    50.00000  109.50000
   47    54    55    55.00000  108.50000
   52    33    37    70.00000  112.02700
   52    47    48    37.50000  110.70000
   52    63    64    55.00000  108.50000
   63    52    53    35.00000  109.50000
   54    47    48    35.00000  109.50000
   54    47    52    50.00000  109.50000
   41    37    40    60.00000  123.20500
   41    44    49    60.00000  120.93500
   41    44    73    60.00000  120.93500
   44    41    42    85.00000  114.86500
   44    49    50    35.00000  120.00000
   44    49    56    63.00000  120.00000
   44    73    70    63.00000  120.00000
   44    73    38    60.00000  119.52600
   49    56    57    35.00000  120.00000
   49    56    65    63.00000  120.00000
   56    49    50    35.00000  120.00000
   56    65    66    35.00000  120.00000
   56    65    70    63.00000  120.00000
   65    56    57    35.00000  120.00000
   65    70    73    63.00000  120.00000
   65    70    74    70.00000  120.00000
   70    65    66    35.00000  120.00000
   70    73    38    60.00000  119.52600
   70    74    75    75.00000  111.00000
   73    44    49    63.00000  120.00000
   73    38    39    75.00000  123.78400
   38    33    37    70.00000  109.06800
   38    33    52    63.00000  111.10000
   74    70    73    70.00000  120.00000
   74    75    76    35.00000  109.50000
   74    75    77    35.00000  109.50000
   74    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    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
   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    52    47   0.44750  1.0 1.0
   29    33    52    47  -0.17800 -1.0 2.0
   29    33    52    47   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    63   0.56750  1.0 1.0
   29    33    52    63  -0.07550 -1.0 2.0
   29    33    52    63   0.20000  1.0 3.0
   29    33    38    73   0.65300  1.0 1.0
   29    33    38    73  -0.03850 -1.0 2.0
   29    33    38    73   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   33    37    40    43  -0.02500  1.0 1.0
   33    37    40    43  -0.32150 -1.0 2.0
   33    37    40    43  -0.01500  1.0 3.0
   33    37    40    67  -0.02500  1.0 1.0
   33    37    40    67  -0.32150 -1.0 2.0
   33    37    40    67  -0.01500  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    44   7.00000 -1.0 2.0
   33    52    63    64  -0.11600  1.0 1.0
   33    52    63    64  -0.09450 -1.0 2.0
   33    52    63    64   0.21250  1.0 3.0
   37    33    52    47   0.34400  1.0 1.0
   37    33    52    47   0.09450 -1.0 2.0
   37    33    52    47   0.11100  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    63   1.05650  1.0 1.0
   37    33    52    63   0.15600 -1.0 2.0
   37    33    52    63   0.53150  1.0 3.0
   37    33    38    73   0.65300  1.0 1.0
   37    33    38    73  -0.03850 -1.0 2.0
   37    33    38    73   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    40    43    45   3.62500 -1.0 2.0
   37    40   -43    47   3.62500 -1.0 2.0
   37    40    67    58   3.62500 -1.0 2.0
   37    40    67    71   3.62500 -1.0 2.0
   37    41    44    49   0.15800  1.0 1.0
   37    41    44    49   1.85350 -1.0 2.0
   37    41    44    49  -0.48700  1.0 3.0
   37    41   -44    73   0.15800  1.0 1.0
   37    41   -44    73   1.85350 -1.0 2.0
   37    41   -44    73  -0.48700  1.0 3.0
   40    37    41    42   7.00000 -1.0 2.0
   40    37    41    44   7.00000 -1.0 2.0
   40    43    45    46   3.62500 -1.0 2.0
   40    43    45    51   3.62500 -1.0 2.0
   40    43    47    48   0.00000  1.0 1.0
   40    43    47    52   0.04150 -1.0 2.0
   40    43    47    54   0.14300 -1.0 2.0
   40    43    47    54   0.00300  1.0 3.0
   40    67    71    72   0.84100 -1.0 2.0
   43    40    67    58   3.62500 -1.0 2.0
   43    40    67    71   3.62500 -1.0 2.0
   43    45   -51    58   3.62500 -1.0 2.0
   43    45    51    60   3.62500 -1.0 2.0
   43    47   -52    33  -0.03700  1.0 1.0
   43    47   -52    33   0.37200 -1.0 2.0
   43    47   -52    33  -0.47300  1.0 3.0
   43    47    52    53   0.43200  1.0 3.0
   43    47    52    63   1.13150  1.0 1.0
   43    47    52    63  -1.01400 -1.0 2.0
   43    47    54    55   0.31900  1.0 1.0
   43    47    54    55  -0.11800 -1.0 2.0
   43    47    54    55   0.38750  1.0 3.0
   45    43    47    48   0.00000  1.0 1.0
   45    43    47    52   0.04150 -1.0 2.0
   45    43    47    54   0.14300 -1.0 2.0
   45    43    47    54   0.00300  1.0 3.0
   45    51    58    59   3.62500 -1.0 2.0
   45    51    58    67   3.62500 -1.0 2.0
   45    51    60    61   0.00000  1.0 1.0
   45    51    60    62   0.00000  1.0 1.0
   45    51    60    68   0.14300 -1.0 2.0
   45    51    60    68   0.00300  1.0 3.0
   46    45    51    58   3.62500 -1.0 2.0
   46    45    51    60   3.62500 -1.0 2.0
   51    58   -67    40   3.62500 -1.0 2.0
   51    58    67    71   3.62500 -1.0 2.0
   51    60    68    69   0.31900  1.0 1.0
   51    60    68    69  -0.11800 -1.0 2.0
   51    60    68    69   0.38750  1.0 3.0
   58    51    60    61   0.00000  1.0 1.0
   58    51    60    62   0.00000  1.0 1.0
   58    51    60    68   0.14300 -1.0 2.0
   58    51    60    68   0.00300  1.0 3.0
   58    67    71    72   0.84100 -1.0 2.0
   59    58    67    40   3.62500 -1.0 2.0
   59    58    67    71   3.62500 -1.0 2.0
   67    40   -43    45   3.62500 -1.0 2.0
   67    40    43    47   3.62500 -1.0 2.0
   60    51    58    59   3.62500 -1.0 2.0
   60    51    58    67   3.62500 -1.0 2.0
   61    60    68    69   0.19450  1.0 3.0
   62    60    68    69   0.19450  1.0 3.0
   47    43    45    46   3.62500 -1.0 2.0
   47    43    45    51   3.62500 -1.0 2.0
   47    52    63    64  -0.11600  1.0 1.0
   47    52    63    64  -0.09450 -1.0 2.0
   47    52    63    64   0.21250  1.0 3.0
   48    47    52    33   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    63   0.23400  1.0 3.0
   48    47    54    55   0.19450  1.0 3.0
   52    33   -37    40  -0.01700  1.0 1.0
   52    33   -37    40   0.06550 -1.0 2.0
   52    33   -37    40  -0.91500  1.0 3.0
   52    33    37    41   0.09850  1.0 1.0
   52    33    37    41   0.15250 -1.0 2.0
   52    33    37    41  -0.50650  1.0 3.0
   52    33    38    73   0.05850 -1.0 2.0
   52    33    38    73   0.17250  1.0 3.0
   52    33    38    39   0.30150 -1.0 2.0
   52    47    54    55  -0.11600  1.0 1.0
   52    47    54    55  -0.09450 -1.0 2.0
   52    47    54    55   0.21250  1.0 3.0
   53    52    63    64   0.19450  1.0 3.0
   54    47    52    33   0.86500  1.0 1.0
   54    47    52    33  -0.17500 -1.0 2.0
   54    47    52    33   0.20800  1.0 3.0
   54    47    52    53   0.23400  1.0 3.0
   54    47    52    63   3.75450  1.0 1.0
   41    37    40    43   0.15800  1.0 1.0
   41    37    40    43   1.85350 -1.0 2.0
   41    37    40    43  -0.48700  1.0 3.0
   41    37    40    67   0.15800  1.0 1.0
   41    37    40    67   1.85350 -1.0 2.0
   41    37    40    67  -0.48700  1.0 3.0
   41    44    49    50   3.62500 -1.0 2.0
   41    44    49    56   3.62500 -1.0 2.0
   41    44    73    70   3.62500 -1.0 2.0
   41    44    73    38   3.62500 -1.0 2.0
   42    41    44    49  -0.01750  1.0 1.0
   42    41    44    49  -0.32000 -1.0 2.0
   42    41    44    49   0.00600  1.0 3.0
   42    41    44    73  -0.01750  1.0 1.0
   42    41    44    73  -0.32000 -1.0 2.0
   42    41    44    73   0.00600  1.0 3.0
   44    49    56    57   3.62500 -1.0 2.0
   44    49    56    65   3.62500 -1.0 2.0
   44    73   -38    33   2.26350  1.0 1.0
   44    73   -38    33   0.76750 -1.0 2.0
   44    73   -38    33   0.22500  1.0 3.0
   44    73    38    39   1.05000 -1.0 2.0
   49    44    73    70   3.62500 -1.0 2.0
   49    44    73    38   3.62500 -1.0 2.0
   49    56    65    66   3.62500 -1.0 2.0
   49    56   -65    70   3.62500 -1.0 2.0
   50    49    56    57   3.62500 -1.0 2.0
   50    49    56    65   3.62500 -1.0 2.0
   56    65    70    73   3.62500 -1.0 2.0
   56    65    70    74   3.62500 -1.0 2.0
   57    56    65    66   3.62500 -1.0 2.0
   57    56    65    70   3.62500 -1.0 2.0
   65    70   -73    44   3.62500 -1.0 2.0
   65    70    73    38   3.62500 -1.0 2.0
   65    70    74    75   1.63200 -1.0 2.0
   66    65    70    73   3.62500 -1.0 2.0
   66    65    70    74   3.62500 -1.0 2.0
   70    73    38    33   2.26350  1.0 1.0
   70    73    38    33   0.76750 -1.0 2.0
   70    73    38    33   0.22500  1.0 3.0
   70    73    38    39   1.05000 -1.0 2.0
   70    74    75    76   0.08050  1.0 3.0
   70    74    75    77   0.08050  1.0 3.0
   70    74    75    78   0.08050  1.0 3.0
   73    44    49    50   3.62500 -1.0 2.0
   73    44   -49    56   3.62500 -1.0 2.0
   73    70    74    75   1.63200 -1.0 2.0
   38    33    37    40   0.09700  1.0 1.0
   38    33    37    40   0.15600 -1.0 2.0
   38    33    37    40  -0.50800  1.0 3.0
   38    33   -37    41  -0.51250  1.0 1.0
   38    33   -37    41  -0.88800 -1.0 2.0
   38    33   -37    41   0.08850  1.0 3.0
   38    33    52    47  -0.95700  1.0 1.0
   38    33    52    47  -0.18200 -1.0 2.0
   38    33    52    47   0.29450  1.0 3.0
   38    33    52    53  -0.11250  1.0 3.0
   38    33    52    63  -0.09450  1.0 1.0
   38    33    52    63  -1.12950 -1.0 2.0
   38    33    52    63   0.54000  1.0 3.0
   74    70    73    44   3.62500 -1.0 2.0
   74    70    73    38   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    41   1.10000 -1.0 2.0
   43    67    40    37   4.00000 -1.0 2.0
   45    47    43    40   4.00000 -1.0 2.0
   51    46    45    43   1.10000 -1.0 2.0
   58    60    51    45   4.00000 -1.0 2.0
   67    59    58    51   1.10000 -1.0 2.0
   58    71    67    40   4.00000 -1.0 2.0
   44    42    41    37   1.10000 -1.0 2.0
   49    73    44    41   4.00000 -1.0 2.0
   56    50    49    44   1.10000 -1.0 2.0
   65    57    56    49   1.10000 -1.0 2.0
   70    66    65    56   1.10000 -1.0 2.0
   73    74    70    65   4.00000 -1.0 2.0
   70    38    73    44   4.00000 -1.0 2.0
   33    73    38    39  10.50000 -1.0 2.0
END
