* LIGAND DATABASE FILE (OPLS2005)
*
001      79    78    138    195     399
    1     0 S   NP   _N1_     1    29.77169    91.56157   -24.03949
    2     1 S   H    _HN1     2     1.02966    93.08802    30.68155
    3     1 S   H    _H1_     3     1.02827    14.42455  -163.27829
    4     1 S   H    _H2_     4     1.02785   110.25674   -80.09612
    5     1 S   CT   _CA1     5     1.50146   120.53642   146.57410
    6     5 S   HC   _HA1     6     1.09571   105.23647    71.10887
    7     5 S   CO3  _C1_     7     1.53772   112.45993   -49.14416
    8     7 S   O2Z  _O11     8     1.26362   115.01447   -42.23230
    9     7 S   O2Z  _O12     9     1.26240   114.93885   136.91621
   10     5 S   CT   _CB1    10     1.53023   107.34389  -170.95126
   11    10 S   HC   HB11    11     1.09847   109.27755   -50.44799
   12    10 S   HC   HB12    12     1.09839   110.40337    66.01212
   13    10 S   CT   _CG1    13     1.53064   112.82637  -171.56685
   14    13 S   HC   HG11    14     1.09573   110.57516   -64.73408
   15    13 S   HC   HG12    15     1.09643   110.04648    54.75554
   16    13 S   C    _CD1    16     1.51649   111.86251   174.96052
   17    16 S   O    _OE1    17     1.22738   123.04327     0.04846
   18    16 S   N    _N2_    18     1.38569   112.10502  -179.89913
   19    18 S   H    _HN2    19     1.01601   119.21854     0.07402
   20    18 S   CT1  _CA2    20     1.46096   122.85262   178.81337
   21    20 S   HC   _HA2    21     1.09507   108.97996   -12.07094
   22    20 S   C    _C2_    22     1.53394   108.82152  -126.82143
   23    22 S   O    _O2_    23     1.23027   122.27142  -151.00861
   24    20 S   CT   _CB2    32     1.53476   112.22268   110.25350
   25    24 S   HC   HB21    33     1.09662   109.35723    65.10675
   26    24 S   HC   HB22    34     1.09518   110.83773  -177.93124
   27    22 S   N    _N3_    24     1.38316   113.48071    36.57004
   28    27 S   H    _HN3    25     1.01634   119.40337    -3.86893
   29    24 S   S    _SG2    35     1.82973   114.84946   -54.18700
   30    27 S   CT   _CA3    26     1.45259   123.26269   176.53327
   31    30 S   HC   HA31    27     1.09551   107.54069   -62.91196
   32    30 S   HC   HA32    28     1.09550   107.93327    53.53486
   33    29 S   CT   _C7_    36     1.83643   100.78563   -68.54469
   34    33 S   HC   _H3_    37     1.09273   109.57464    37.40272
   35    30 S   CO3  _C3_    29     1.52952   114.05439   175.52722
   36    35 S   O2Z  _O31    30     1.26382   116.03539    -0.56683
   37    35 S   O2Z  _O32    31     1.26413   114.43316   179.40818
   38    33 S   C    _C8_    38     1.52868   106.15458   155.45513
   39    38 S   O    _O35    39     1.22908   122.73336    75.64919
   40    33 S   CT   _C6_    70     1.53022   110.52354   -84.50412
   41    40 S   HC   _H9_    71     1.09696   110.74480   -67.40487
   42    40 S   HC   _H10    72     1.09576   111.44505    53.33878
   43    38 S   N    _N4_    40     1.38463   112.50020  -103.76049
   44    43 S   H    _H11    41     1.01662   119.42366     2.38630
   45    40 S   CO4  _C5_    73     1.51449   110.86985   171.89586
   46    45 S   O    _O34    74     1.22391   124.78273   -27.79523
   47    43 S   CT   _C9_    42     1.45333   123.73222  -177.80929
   48    47 S   HC   _H12    43     1.09554   108.87597   -33.32667
   49    47 S   HC   _H13    44     1.09568   105.88582  -148.70165
   50    45 S   OS   _O33    75     1.36455   109.43378   153.94509
   51    47 S   CT1  _C10    45     1.53347   112.88927    91.00115
   52    51 S   HC   _H4_    46     1.09806   108.12132   165.47650
   53    50 S   CT   _C4_    76     1.43038   115.11465  -179.37255
   54    53 S   HC   _H6_    77     1.09328   108.10604   177.90678
   55    53 S   HC   _H7_    78     1.09424   110.42508    59.18908
   56    53 S   HC   _H8_    79     1.09418   110.20655   -63.43710
   57    51 S   CO3  _C11    47     1.54192   109.68621   -78.39016
   58    57 S   O2Z  _O37    48     1.26468   115.72037   109.31884
   59    57 S   O2Z  _O36    49     1.26472   114.85771   -71.88410
   60    51 S   N    _N5_    50     1.46356   112.51677    47.97877
   61    60 S   H    _H14    51     1.01675   116.25586  -107.36733
   62    60 S   C    _C12    52     1.38543   123.92632    73.62723
   63    62 S   O    _O38    53     1.22906   124.38002    -2.67942
   64    62 S   CT1  _C13    54     1.52999   112.08963   176.69257
   65    64 S   HC   _H5_    55     1.09769   107.50014   -43.23133
   66    64 S   CTG  _C14    56     1.53744   112.08051    75.59183
   67    66 S   HC   _H15    57     1.09769   109.01281   -54.93867
   68    66 S   HC   _H16    58     1.09864   108.22074  -170.55956
   69    64 S   NT   _N6_    67     1.46363   109.13074  -159.63876
   70    69 S   H    _H22    68     1.01909   109.58460   175.82899
   71    69 S   H    _H23    69     1.01954   109.54003    59.47107
   72    66 S   CT   _C15    59     1.53137   114.08396    67.59827
   73    72 S   HC   _H17    60     1.09417   110.56858    60.71873
   74    72 S   HC   _H18    61     1.09351   110.71839   -59.82281
   75    72 S   S    _S1_    62     1.82356   109.63633  -179.97202
   76    75 S   CT   _C16    63     1.80831    98.67443  -174.40889
   77    76 S   HC   _H19    64     1.09259   109.04745   178.17533
   78    76 S   HC   _H20    65     1.09303   110.42586    59.19221
   79    76 S   HC   _H21    66     1.09258   110.57444   -62.37433
  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   9   5   4   3
  12   7   2   1   1  11   4   7   4   3   8   4   6   2  10   5
   4   4   9   6   3   2   1   1   5   2   1   7   3  10   4  11
   7  10   6   5   3   1   1   7   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    40    41    42    45    46    50  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    48    49    51    40    41    42    45  
   43    44    47    40  
   41    42    45    46    50    53    43  
   42    45    46    50  
   45    46    50  
   44    47    48    49    51    52    57    60  
   47    48    49    51  
   46    50    53    54    55    56  
   50    53  
   48    49    51    52    57    58    59    60    61    62  
   49    51    52    57    60  
   51    52    57    60  
   53    54    55    56  
   52    57    58    59    60    61    62    63    64  
   57    58    59    60    61    62  
   54    55    56  
   55    56  
   56  
    0  
   58    59    60    61    62  
   59    60  
   60  
   61    62    63    64    65    66    69  
   62    63    64  
   63    64    65    66    67    68    72    69    70    71  
   64    65    66    69  
   65    66    67    68    72    73    74    75    69    70    71  
   66    67    68    72    69    70    71  
   67    68    72    73    74    75    76    69    70    71  
   68    72    73    74    75    69  
   72    73    74    75    69  
   70    71    72  
   71  
    0  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   44   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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   0.163900   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   70   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   71   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   76   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    43   490.000  1.335
   43    44   434.000  1.010
   43    47   337.000  1.449
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    57   317.000  1.522
   51    60   337.000  1.449
   57    58   656.000  1.250
   57    59   656.000  1.250
   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   268.000  1.529
   64    69   305.000  1.457
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   222.000  1.810
   75    76   222.000  1.810
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   69    70   434.000  1.010
   69    71   434.000  1.010
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    50   214.000  1.327
   50    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    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    70.00000  112.33000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    43    70.00000  116.60000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  119.80000
   38    43    47    50.00000  121.90000
   43    38    39    80.00000  122.90000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    51    70.00000  110.72300
   47    43    44    38.00000  118.40000
   47    51    52    37.50000  110.70000
   47    51    57    63.00000  111.10000
   47    51    60    80.00000  109.70000
   49    47    48    33.00000  107.80000
   51    47    48    37.50000  110.70000
   51    47    49    37.50000  110.70000
   51    57    58    70.00000  117.00000
   51    57    59    70.00000  117.00000
   51    60    61    38.00000  118.40000
   51    60    62    50.00000  121.90000
   57    51    52    35.00000  109.50000
   59    57    58    80.00000  126.00000
   60    51    52    35.00000  109.50000
   60    51    57    63.00000  110.10000
   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    63.00000  111.10000
   62    64    69    75.00000  111.54000
   64    62    63    80.00000  120.40000
   64    66    67    37.50000  110.70000
   64    66    68    37.50000  110.70000
   64    66    72    58.35000  112.70000
   64    69    70    50.00000  111.55300
   64    69    71    50.00000  111.55300
   66    64    65    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    75    50.00000  114.70000
   68    66    67    33.00000  107.80000
   72    66    67    37.50000  110.70000
   72    66    68    37.50000  110.70000
   72    75    76    62.00000   98.90000
   74    72    73    33.00000  107.80000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   75    76    77    35.00000  109.50000
   75    76    78    35.00000  109.50000
   75    76    79    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   69    64    65    50.00000  109.55000
   69    64    66    80.00000  111.22000
   71    69    70    43.60000  106.40000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    45    46    80.00000  120.40000
   40    45    50    81.00000  111.40000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    50    53    83.00000  116.90000
   50    45    46    83.00000  123.40000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.30150 -1.0 2.0
   29    33    38    43   0.00000  1.0 1.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   2.45000 -1.0 2.0
   33    38    43    47   1.49850  1.0 1.0
   33    38    43    47   1.53950 -1.0 2.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    50   0.36750  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45  -0.11250  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    42  -0.11250  1.0 3.0
   38    33    40    45   0.11950  1.0 1.0
   38    33    40    45   0.20300 -1.0 2.0
   38    33    40    45  -0.70800  1.0 3.0
   38    43    47    48   0.00000  1.0 1.0
   38    43    47    49   0.00000  1.0 1.0
   38    43    47    51  -0.43950  1.0 1.0
   38    43    47    51  -0.08100 -1.0 2.0
   38    43    47    51   0.03350  1.0 3.0
   39    38    43    44   2.45000 -1.0 2.0
   39    38    43    47   3.04450 -1.0 2.0
   43    47    51    52   0.15000  1.0 3.0
   43    47    51    57  -4.61400  1.0 1.0
   43    47    51    60   2.20050  1.0 1.0
   43    47    51    60   0.63450 -1.0 2.0
   43    47    51    60  -0.91300  1.0 3.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    49   0.00000  1.0 1.0
   44    43    47    51   0.00000  1.0 1.0
   47    51    57    58   0.00000  1.0 1.0
   47    51    57    59   0.00000  1.0 1.0
   47    51    60    61   0.00000  1.0 1.0
   47    51    60    62   0.25950  1.0 1.0
   47    51    60    62   0.43850 -1.0 2.0
   47    51    60    62   2.61650  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    57  -0.03800  1.0 3.0
   48    47    51    60   0.23200  1.0 3.0
   49    47    51    52   0.15000  1.0 3.0
   49    47    51    57  -0.03800  1.0 3.0
   49    47    51    60   0.23200  1.0 3.0
   51    60    62    63   3.04450 -1.0 2.0
   51    60    62    64   1.15000  1.0 1.0
   51    60    62    64   3.04450 -1.0 2.0
   52    51    57    58   0.00000  1.0 1.0
   52    51    57    59   0.00000  1.0 1.0
   52    51    60    61   0.00000  1.0 1.0
   52    51    60    62   0.00000  1.0 1.0
   57    51    60    61   0.00000  1.0 1.0
   57    51    60    62  -0.29800  1.0 1.0
   57    51    60    62   0.13950 -1.0 2.0
   57    51    60    62  -2.45650  1.0 3.0
   60    51    57    58   0.00000  1.0 1.0
   60    51    57    59   0.00000  1.0 1.0
   60    62    64    65   0.00000  1.0 1.0
   60    62    64    66   0.93250  1.0 1.0
   60    62    64    66   0.04450 -1.0 2.0
   60    62    64    66   0.17550  1.0 3.0
   60    62    64    69   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    67  -0.03800  1.0 3.0
   62    64    66    68  -0.03800  1.0 3.0
   62    64    66    72   0.19200  1.0 1.0
   62    64    66    72  -0.38100 -1.0 2.0
   62    64    69    70   0.21900  1.0 1.0
   62    64    69    70  -0.24900 -1.0 2.0
   62    64    69    70   0.15200  1.0 3.0
   62    64    69    71   0.21900  1.0 1.0
   62    64    69    71  -0.24900 -1.0 2.0
   62    64    69    71   0.15200  1.0 3.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    66   0.00000  1.0 1.0
   63    62    64    69   0.30150 -1.0 2.0
   64    66    72    73   0.15000  1.0 3.0
   64    66    72    74   0.15000  1.0 3.0
   64    66    72    75   1.30950  1.0 1.0
   64    66    72    75  -0.31000 -1.0 2.0
   64    66    72    75   0.12900  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    72   0.15000  1.0 3.0
   65    64    69    70   0.20000  1.0 3.0
   65    64    69    71   0.20000  1.0 3.0
   66    64    69    70  -0.05950  1.0 1.0
   66    64    69    70   0.08850 -1.0 2.0
   66    64    69    70   0.11750  1.0 3.0
   66    64    69    71  -0.05950  1.0 1.0
   66    64    69    71   0.08850 -1.0 2.0
   66    64    69    71   0.11750  1.0 3.0
   66    72    75    76   0.46250  1.0 1.0
   66    72    75    76  -0.28800 -1.0 2.0
   66    72    75    76   0.33850  1.0 3.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   67    66    72    75   0.22600  1.0 3.0
   68    66    72    73   0.15000  1.0 3.0
   68    66    72    74   0.15000  1.0 3.0
   68    66    72    75   0.22600  1.0 3.0
   72    75    76    77   0.32350  1.0 3.0
   72    75    76    78   0.32350  1.0 3.0
   72    75    76    79   0.32350  1.0 3.0
   73    72    75    76   0.32350  1.0 3.0
   74    72    75    76   0.32350  1.0 3.0
   69    64    66    67   0.15000  1.0 3.0
   69    64    66    68   0.15000  1.0 3.0
   69    64    66    72   1.53400  1.0 1.0
   69    64    66    72  -0.09950 -1.0 2.0
   69    64    66    72   0.05700  1.0 3.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33    38    43   1.39750  1.0 1.0
   40    33    38    43  -0.07950 -1.0 2.0
   40    33    38    43  -0.18750  1.0 3.0
   40    45    50    53   1.63150  1.0 1.0
   40    45    50    53   2.92000 -1.0 2.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    50   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    50   0.00000  1.0 1.0
   45    50    53    54   0.08050  1.0 3.0
   45    50    53    55   0.08050  1.0 3.0
   45    50    53    56   0.08050  1.0 3.0
   46    45    50    53   3.00000 -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
   36    30    35    37  10.50000 -1.0 2.0
   33    43    38    39  10.50000 -1.0 2.0
   44    38    43    47   1.00000 -1.0 2.0
   58    51    57    59  10.50000 -1.0 2.0
   61    62    60    51   1.00000 -1.0 2.0
   60    64    62    63  10.50000 -1.0 2.0
   40    50    45    46  10.50000 -1.0 2.0
END
