* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    144    230     418
    1     0 S   NP   _N1_     1    28.12135    96.71792   -22.67495
    2     1 S   H    _HN1     2     1.02955    80.08994   -16.46718
    3     1 S   H    _H1_     3     1.02834    29.85492   137.93651
    4     1 S   H    _H2_     4     1.02775   105.46558  -122.92966
    5     1 S   CT   _CA1     5     1.50130   134.14531    92.38102
    6     5 S   HC   _HA1     6     1.09576   105.20363    81.44824
    7     5 S   CO3  _C1_     7     1.53813   112.41658   -38.70413
    8     7 S   O2Z  _O11     8     1.26370   114.98353   -42.38012
    9     7 S   O2Z  _O12     9     1.26243   114.97559   136.69756
   10     5 S   CT   _CB1    10     1.53114   107.41893  -160.61997
   11    10 S   HC   HB11    11     1.09823   109.40967   -50.28347
   12    10 S   HC   HB12    12     1.09812   110.41972    66.35184
   13    10 S   CT   _CG1    13     1.52959   112.54117  -171.31325
   14    13 S   HC   HG11    14     1.09541   110.32005   -65.13387
   15    13 S   HC   HG12    15     1.09623   109.83000    54.13519
   16    13 S   C    _CD1    16     1.51738   112.51033   174.84170
   17    16 S   O    _OE1    17     1.22764   123.23587     4.25372
   18    16 S   N    _N2_    18     1.38598   111.75711  -176.11350
   19    18 S   H    _HN2    19     1.01624   119.10805     5.04815
   20    18 S   CT1  _CA2    20     1.45676   122.67295   179.43837
   21    20 S   HC   _HA2    21     1.09740   108.68637    27.42653
   22    20 S   C    _C2_    22     1.52984   107.25257   -89.69300
   23    22 S   O    _O2_    23     1.22978   123.12036   -25.78052
   24    20 S   CT   _CB2    32     1.53296   112.82077   150.46435
   25    24 S   HC   HB21    33     1.09578   110.17470    57.93564
   26    24 S   HC   HB22    34     1.09366   109.15526   176.23194
   27    22 S   N    _N3_    24     1.38524   112.44825   157.18323
   28    27 S   H    _HN3    25     1.01667   120.25344    -2.57952
   29    24 S   S    _SG2    35     1.82657   111.48327   -62.28653
   30    27 S   CT   _CA3    26     1.45334   122.62028   178.17340
   31    30 S   HC   HA31    27     1.09565   107.98512   -51.87754
   32    30 S   HC   HA32    28     1.09554   107.48236    64.50812
   33    29 S   CT   _C7_    36     1.90868   101.90070  -155.63870
   34    30 S   CO3  _C3_    29     1.52909   114.24493  -173.88516
   35    34 S   O2Z  _O31    30     1.26344   116.06015    -0.19584
   36    34 S   O2Z  _O32    31     1.26430   114.41130   179.74207
   37    33 S   CM   _C12    37     1.55090   105.17407  -172.38751
   38    33 S   CM   _C6_    73     1.53175   105.40011    70.12862
   39    38 S   HC   _H10    74     1.09110   115.38141    54.18075
   40    37 S   N4   _N4_    38     1.36438   118.90109    90.23968
   41    37 S   CMA  _C13    70     1.53034   121.13840   -80.83315
   42    41 S   OM   _O34    71     1.26378   119.70399  -101.16844
   43    41 S   OM   _O35    72     1.26297   121.50814    79.54581
   44    38 S   CM   _C5_    75     1.34362   128.00008  -125.39126
   45    44 S   HC   _H9_    76     1.08478   120.95606    -0.32082
   46    40 S   C4   _C11    39     1.35261   137.26839  -159.73127
   47    46 S   O    _O33    40     1.20858   134.84085    -0.46267
   48    40 S   C4T  _C9_    43     1.45118   125.62705    32.20724
   49    48 S   HC   _H3_    44     1.09816   111.79871    74.07650
   50    44 S   CT   _C4_    77     1.49437   123.45364   179.51786
   51    50 S   HC   _H6_    78     1.09435   109.83541  -120.21981
   52    50 S   HC   _H7_    79     1.09452   112.42198     0.22206
   53    50 S   HC   _H8_    80     1.09426   109.86499   120.69981
   54    46 S   C4T  _C10    41     1.56497    89.39274   175.11894
   55    54 S   HC   _H4_    42     1.09564   112.85156   127.58902
   56    48 S   S    _S1_    45     1.80335   111.17938   -53.50949
   57    33 S   CT   _C8_    46     1.55687   109.61651   -51.24003
   58    57 S   HC   _H11    47     1.09440   112.42517    57.85972
   59    57 S   HC   _H12    48     1.09770   109.99678   175.60234
   60    54 S   N    _N5_    49     1.48086   113.02306  -103.97981
   61    60 S   H    _H13    50     1.01749   118.90579    10.14808
   62    60 S   C    _C14    51     1.39064   122.76259  -173.93505
   63    62 S   O    _O36    52     1.22944   123.87793     4.20114
   64    62 S   CT1  _C15    53     1.53205   112.31260  -175.39955
   65    64 S   HC   _H5_    54     1.09760   107.47110   -48.39746
   66    64 S   CA   _C16    55     1.51619   111.00840    71.92861
   67    64 S   NT   _N6_    67     1.46629   109.08299  -164.57476
   68    67 S   H    _H19    68     1.01928   109.37851   174.01666
   69    67 S   H    _H20    69     1.01935   109.47895    57.97075
   70    66 S   CA   _C17    56     1.40314   119.94371  -116.35216
   71    70 S   HA   _H14    57     1.08739   120.56437    -1.80374
   72    70 S   CA   _C18    58     1.39533   120.60245   177.59173
   73    72 S   HA   _H15    59     1.08573   119.63897  -179.96044
   74    72 S   CA   _C19    60     1.39100   119.72955    -0.27052
   75    74 S   CA   _C20    61     1.39161   120.70685     0.88581
   76    75 S   HA   _H16    62     1.08588   121.03826   179.95154
   77    74 S   OH   _O37    65     1.36615   118.18333  -178.75589
   78    77 S   HO   _H18    66     0.97274   108.67025   179.35290
   79    66 S   CA   _C21    63     1.40527   121.30306    61.84409
   80    79 S   HA   _H17    64     1.08777   120.27463     1.63494
  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
  16   2   1   1  16  13   4  12   5   1   1   6   4   9   4  10
   5   3   2   1   1   8   4   4   2   1   1   7   3   9   4  11
   6  12   4   1   1   8   4   7   3   6   5   3   2   1   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    57    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    56    57    58    59    41    38    39    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    46    48    56    57    58    59    41    42    43    38    39    44    45    50  
   35    36  
   36  
    0  
   40    46    47    54    48    49    56    57    58    59    41    42    43    38    39    44  
   39    44    45    50    51    52    53    40    41    56    57    58    59  
   44    45    50    57  
   46    47    54    55    48    49    56    57    60    41    42    43  
   42    43    46    48    57  
   43  
    0  
   45    50    51    52    53    57  
   50    51    52    53  
   47    54    55    48    49    56    60    61    62  
   54    55    48    60  
   49    56    57    58    59    60    61    62    54    55  
   56    57    60    54    55  
   51    52    53  
   52    53  
   53  
    0  
   55    56    57    60    61    62    63    64  
   56    60    61    62  
   57    58    59    60  
   58    59  
   59  
    0  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64    65    66    70    79    67    68    69  
   64    65    66    67  
   65    66    70    71    72    75    79    80    67    68    69  
   66    70    79    67    68    69  
   70    71    72    73    74    75    76    79    80    67    68    69  
   68    69    70    79  
   69  
    0  
   71    72    73    74    75    79    80    77  
   72    73    74    79  
   73    74    75    76    79    77    78  
   74    75    77  
   75    76    79    80    77    78  
   76    79    80    77    78  
   79    80    77  
   78    79  
    0  
   80  
    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  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   41   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   57   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   61   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   62   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   64   3.5000   0.0660   0.278900   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   68   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   69   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    57   268.000  1.529
   33    38   317.000  1.510
   37    40   400.000  1.384
   37    41   465.000  1.376
   40    46   440.000  1.369
   40    48   305.000  1.456
   46    47   930.000  1.212
   46    54   250.000  1.540
   54    55   340.000  1.090
   54    48   268.000  1.529
   54    60   337.000  1.449
   48    49   340.000  1.090
   48    56   200.000  1.824
   56    57   222.000  1.810
   57    58   340.000  1.090
   57    59   340.000  1.090
   60    61   434.000  1.010
   60    62   490.000  1.335
   62    63   570.000  1.229
   62    64   317.000  1.522
   64    65   340.000  1.090
   64    66   275.000  1.474
   64    67   305.000  1.457
   66    70   469.000  1.400
   66    79   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   469.000  1.400
   74    77   450.000  1.364
   75    76   367.000  1.080
   75    79   469.000  1.400
   79    80   367.000  1.080
   77    78   553.000  0.945
   67    68   434.000  1.010
   67    69   434.000  1.010
   41    42   745.000  1.250
   41    43   745.000  1.250
   38    39   340.000  1.080
   38    44   549.000  1.340
   44    45   340.000  1.080
   44    50   317.000  1.510
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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    57    75.00000  111.63000
   29    33    38    75.00000  112.20000
   33    37    40    70.00000  113.82800
   33    37    41    70.00000  124.00000
   33    57    56    75.00000  111.63000
   33    57    58    37.50000  110.70000
   33    57    59    37.50000  110.70000
   33    38    39    35.00000  117.00000
   33    38    44    70.00000  124.00000
   37    40    46    50.00000  132.10000
   37    40    48    50.00000  132.70000
   37    41    42    65.00000  137.10300
   37    41    43    65.00000  137.10300
   40    46    47    75.00000  131.60000
   40    46    54    95.00000   92.72400
   40    48    54   105.00000   87.49700
   40    48    49    50.00000  112.01000
   40    48    56    80.00000  108.62000
   46    54    55    40.00000  113.37500
   46    54    48   100.00000   86.36000
   46    54    60    75.00000  110.24000
   54    46    47    60.00000  136.58000
   54    48    49    37.50000  110.70000
   54    48    56    65.00000  119.05700
   54    60    61    38.00000  118.40000
   54    60    62    50.00000  121.90000
   48    40    46   100.00000   93.00000
   48    54    55    37.50000  110.70000
   48    56    57    85.00000   99.86700
   56    48    49    45.00000  109.41400
   56    57    58    35.00000  109.50000
   56    57    59    35.00000  109.50000
   57    33    37    70.00000  112.02700
   59    57    58    33.00000  107.80000
   60    54    55    50.00000  112.01000
   60    54    48    80.00000  110.05700
   60    62    63    80.00000  122.90000
   60    62    64    70.00000  116.60000
   62    60    61    35.00000  119.80000
   62    64    65    35.00000  109.50000
   62    64    66    70.00000  102.60000
   62    64    67    75.00000  111.54000
   64    62    63    80.00000  120.40000
   64    66    70    60.00000  125.54000
   64    66    79    60.00000  125.54000
   64    67    68    50.00000  111.55300
   64    67    69    50.00000  111.55300
   66    64    65    45.00000  110.88000
   66    70    71    35.00000  120.00000
   66    70    72    63.00000  120.00000
   66    79    75    63.00000  120.00000
   66    79    80    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    63.00000  120.00000
   72    74    77    70.00000  120.00000
   74    72    73    35.00000  120.00000
   74    75    76    35.00000  120.00000
   74    75    79    63.00000  120.00000
   74    77    78    35.00000  113.00000
   75    79    80    35.00000  120.00000
   79    66    70    63.00000  120.00000
   79    75    76    35.00000  120.00000
   77    74    75    70.00000  120.00000
   67    64    65    50.00000  109.55000
   67    64    66    75.00000  112.33000
   69    67    68    43.60000  106.40000
   41    37    40    75.00000  120.83300
   43    41    42    65.00000  121.00000
   38    33    37    70.00000  110.12100
   38    33    57    70.00000  112.02700
   38    44    45    35.00000  120.00000
   38    44    50    70.00000  124.00000
   44    38    39    35.00000  120.00000
   44    50    51    35.00000  109.50000
   44    50    52    35.00000  109.50000
   44    50    53    35.00000  109.50000
   50    44    45    35.00000  117.00000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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    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
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    57    56   0.56750  1.0 1.0
   29    33    57    56  -0.07550 -1.0 2.0
   29    33    57    56   0.20000  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    59   0.15000  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    44   0.42700  1.0 1.0
   29    33    38    44  -0.70350 -1.0 2.0
   29    33    38    44  -0.43150  1.0 3.0
   33    37    40    46   0.00000  1.0 1.0
   33    37    40    48   0.00000  1.0 1.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    43   7.00000 -1.0 2.0
   33    38    44    45   7.00000 -1.0 2.0
   33    38    44    50   7.00000 -1.0 2.0
   37    33    57    56   0.56750  1.0 1.0
   37    33    57    56  -0.07550 -1.0 2.0
   37    33    57    56   0.20000  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    59   0.15000  1.0 3.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    38    44  -0.28300  1.0 1.0
   37    33    38    44   0.26700 -1.0 2.0
   37    33    38    44  -0.63300  1.0 3.0
   37    40    46    47   3.00000 -1.0 2.0
   37    40    46    54   3.00000 -1.0 2.0
   37    40   -48    54   0.00000  1.0 1.0
   37    40    48    49   0.00000  1.0 1.0
   37    40   -48    56   0.00000  1.0 1.0
   40    37    41    42   7.00000 -1.0 2.0
   40    37    41    43   7.00000 -1.0 2.0
   40    46    54    55   0.00000  1.0 1.0
   40    46   -54    48   3.00000 -1.0 2.0
   40    46    54    60   0.00000  1.0 1.0
   40    48    56    57   0.01700  1.0 1.0
   40    48    56    57  -0.23550 -1.0 2.0
   40    48    56    57   0.21350  1.0 3.0
   46    40   -48    54   0.00000  1.0 1.0
   46    40    48    49   0.00000  1.0 1.0
   46    40    48    56   0.00000  1.0 1.0
   46    54   -48    40   3.00000 -1.0 2.0
   46    54   -48    49   0.15000  1.0 3.0
   46    54   -48    56   0.00000  1.0 1.0
   46    54    60    61   0.00000  1.0 1.0
   46    54    60    62  -0.42300  1.0 1.0
   46    54    60    62  -0.07000 -1.0 2.0
   46    54    60    62   0.04150  1.0 3.0
   47    46    54    55   0.00000  1.0 1.0
   47    46    54    48  -0.11250  1.0 1.0
   47    46    54    48   0.11400 -1.0 2.0
   47    46    54    48  -0.28950  1.0 3.0
   47    46    54    60   0.30150 -1.0 2.0
   54    48    56    57   0.25150  1.0 1.0
   54    48    56    57  -1.17200 -1.0 2.0
   54    48    56    57   0.53050  1.0 3.0
   54    60    62    63   3.04450 -1.0 2.0
   54    60    62    64   1.15000  1.0 1.0
   54    60    62    64   3.04450 -1.0 2.0
   55    54   -48    40   0.15000  1.0 3.0
   55    54    48    49   0.15000  1.0 3.0
   55    54    48    56   0.00000  1.0 1.0
   55    54    60    61   0.00000  1.0 1.0
   55    54    60    62   0.00000  1.0 1.0
   48    40   -46    47   3.00000 -1.0 2.0
   48    40   -46    54   3.00000 -1.0 2.0
   48    54    60    61   0.00000  1.0 1.0
   48    54    60    62  -0.43950  1.0 1.0
   48    54    60    62  -0.08100 -1.0 2.0
   48    54    60    62   0.03350  1.0 3.0
   48    56   -57    33  -0.25000 -1.0 2.0
   48    56   -57    33  -0.01800  1.0 3.0
   48    56    57    58   0.32350  1.0 3.0
   48    56    57    59   0.32350  1.0 3.0
   49    48    56    57   0.00000  1.0 1.0
   57    33   -37    40  -0.93550  1.0 1.0
   57    33   -37    40   0.38900 -1.0 2.0
   57    33   -37    40   0.16950  1.0 3.0
   57    33    37    41   0.09850  1.0 1.0
   57    33    37    41   0.15250 -1.0 2.0
   57    33    37    41  -0.50650  1.0 3.0
   57    33    38    39   0.00000  1.0 1.0
   57    33    38    44   0.09850  1.0 1.0
   57    33    38    44   0.15250 -1.0 2.0
   57    33    38    44  -0.50650  1.0 3.0
   60    54   -48    40   2.20050  1.0 1.0
   60    54   -48    40   0.63450 -1.0 2.0
   60    54   -48    40  -0.91300  1.0 3.0
   60    54    48    49   0.15000  1.0 3.0
   60    54    48    56   0.00000  1.0 1.0
   60    62    64    65   0.00000  1.0 1.0
   60    62    64    66   0.00000  1.0 1.0
   60    62    64    67   0.00000  1.0 1.0
   61    60    62    63   2.45000 -1.0 2.0
   61    60    62    64   2.45000 -1.0 2.0
   62    64    66    70   0.04300 -1.0 2.0
   62    64    66    79   0.04300 -1.0 2.0
   62    64    67    68   0.21900  1.0 1.0
   62    64    67    68  -0.24900 -1.0 2.0
   62    64    67    68   0.15200  1.0 3.0
   62    64    67    69   0.21900  1.0 1.0
   62    64    67    69  -0.24900 -1.0 2.0
   62    64    67    69   0.15200  1.0 3.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    66   0.30150 -1.0 2.0
   63    62    64    67   0.30150 -1.0 2.0
   64    66    70    71   3.62500 -1.0 2.0
   64    66    70    72   3.62500 -1.0 2.0
   64    66    79    75   3.62500 -1.0 2.0
   64    66    79    80   3.62500 -1.0 2.0
   65    64    66    70   0.00000  1.0 1.0
   65    64    66    79   0.00000  1.0 1.0
   65    64    67    68   0.20000  1.0 3.0
   65    64    67    69   0.20000  1.0 3.0
   66    64    67    68   0.76500  1.0 1.0
   66    64    67    68   0.05700 -1.0 2.0
   66    64    67    68  -0.90900  1.0 3.0
   66    64    67    69   0.76500  1.0 1.0
   66    64    67    69   0.05700 -1.0 2.0
   66    64    67    69  -0.90900  1.0 3.0
   66    70    72    73   3.62500 -1.0 2.0
   66    70    72    74   3.62500 -1.0 2.0
   70    66    79    75   3.62500 -1.0 2.0
   70    66    79    80   3.62500 -1.0 2.0
   70    72   -74    75   3.62500 -1.0 2.0
   70    72    74    77   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74    75    76   3.62500 -1.0 2.0
   72    74    75    79   3.62500 -1.0 2.0
   72    74    77    78   0.84100 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    77   3.62500 -1.0 2.0
   74    75   -79    66   3.62500 -1.0 2.0
   74    75    79    80   3.62500 -1.0 2.0
   75    74    77    78   0.84100 -1.0 2.0
   76    75    79    66   3.62500 -1.0 2.0
   76    75    79    80   3.62500 -1.0 2.0
   79    66    70    71   3.62500 -1.0 2.0
   79    66   -70    72   3.62500 -1.0 2.0
   77    74    75    76   3.62500 -1.0 2.0
   77    74    75    79   3.62500 -1.0 2.0
   67    64    66    70   0.18550 -1.0 2.0
   67    64    66    70   0.14000  1.0 3.0
   67    64    66    79   0.18550 -1.0 2.0
   67    64    66    79   0.14000  1.0 3.0
   41    37    40    46   0.00000  1.0 1.0
   41    37    40    48   0.00000  1.0 1.0
   38    33    37    40  -1.35150  1.0 1.0
   38    33    37    40   0.13900 -1.0 2.0
   38    33    37    40   0.25250  1.0 3.0
   38    33    37    41  -0.28300  1.0 1.0
   38    33    37    41   0.26700 -1.0 2.0
   38    33    37    41  -0.63300  1.0 3.0
   38    33    57    56   0.56750  1.0 1.0
   38    33    57    56  -0.07550 -1.0 2.0
   38    33    57    56   0.20000  1.0 3.0
   38    33    57    58   0.15000  1.0 3.0
   38    33    57    59   0.15000  1.0 3.0
   38    44    50    51   0.00000  1.0 1.0
   38    44    50    52   0.00000  1.0 1.0
   38    44    50    53   0.00000  1.0 1.0
   39    38    44    45   7.00000 -1.0 2.0
   39    38    44    50   7.00000 -1.0 2.0
   45    44    50    51   0.33100  1.0 3.0
   45    44    50    52   0.33100  1.0 3.0
   45    44    50    53   0.33100  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    41   1.10000 -1.0 2.0
   48    46    40    37   1.00000 -1.0 2.0
   40    54    46    47  10.50000 -1.0 2.0
   61    62    60    54   1.00000 -1.0 2.0
   60    64    62    63  10.50000 -1.0 2.0
   70    79    66    64   4.00000 -1.0 2.0
   72    71    70    66   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   75    77    74    72   4.00000 -1.0 2.0
   79    76    75    74   1.10000 -1.0 2.0
   75    80    79    66   1.10000 -1.0 2.0
   42    43    41    37   1.10000 -1.0 2.0
   33    39    38    44  15.00000 -1.0 2.0
   50    45    44    38  15.00000 -1.0 2.0
END
