* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    147    233     431
    1     0 S   NP   _N1_     1    28.67238    95.66109   -23.54184
    2     1 S   H    _HN1     2     1.02949    78.36098    12.45281
    3     1 S   H    _H1_     3     1.02829    31.66867   167.26662
    4     1 S   H    _H2_     4     1.02787   105.45955   -93.61146
    5     1 S   CT   _CA1     5     1.50105   135.20837   119.78950
    6     5 S   HC   _HA1     6     1.09572   105.21187    83.68450
    7     5 S   CO3  _C1_     7     1.53799   112.45752   -36.59522
    8     7 S   O2Z  _O11     8     1.26375   115.00864   -42.70889
    9     7 S   O2Z  _O12     9     1.26240   114.95154   136.48218
   10     5 S   CT   _CB1    10     1.53085   107.43205  -158.29542
   11    10 S   HC   HB11    11     1.09832   109.42687   -49.53395
   12    10 S   HC   HB12    12     1.09815   110.42621    67.08964
   13    10 S   CT   _CG1    13     1.52985   112.58127  -170.50384
   14    13 S   HC   HG11    14     1.09584   110.61811   -64.69754
   15    13 S   HC   HG12    15     1.09667   109.80888    54.53399
   16    13 S   C    _CD1    16     1.51790   112.25502   175.03256
   17    16 S   O    _OE1    17     1.22728   123.29335     5.95562
   18    16 S   N    _N2_    18     1.38650   111.64412  -174.25175
   19    18 S   H    _HN2    19     1.01582   118.95777     1.91949
   20    18 S   CT1  _CA2    20     1.46192   123.37942   178.19301
   21    20 S   HC   _HA2    21     1.09737   109.36926     1.01491
   22    20 S   C    _C2_    22     1.53504   108.59116  -114.50059
   23    22 S   O    _O2_    23     1.23051   122.29136  -147.81445
   24    20 S   CT   _CB2    32     1.53348   111.56643   122.99340
   25    24 S   HC   HB21    33     1.09481   109.96831    56.97423
   26    24 S   HC   HB22    34     1.09520   110.07186   175.97903
   27    22 S   N    _N3_    24     1.38334   113.66185    39.61075
   28    27 S   H    _HN3    25     1.01595   119.57659    -3.35970
   29    24 S   S    _SG2    35     1.82789   111.39595   -64.33612
   30    27 S   CT   _CA3    26     1.45288   123.19850   177.11527
   31    30 S   HC   HA31    27     1.09549   107.51541   -64.39408
   32    30 S   HC   HA32    28     1.09557   107.97510    52.03768
   33    29 S   CT   _C20    36     1.84085    99.98791  -178.24175
   34    33 S   HC   _H4_    37     1.09772   105.81834    35.29855
   35    30 S   CO3  _C3_    29     1.52956   114.09004   174.02732
   36    35 S   O2Z  _O31    30     1.26374   116.06773    -0.73754
   37    35 S   O2Z  _O32    31     1.26428   114.41257   179.32420
   38    33 S   CT   _C19    38     1.53375   108.58213   -80.28922
   39    38 S   HC   _H17    39     1.09594   110.50200    58.62706
   40    38 S   HC   _H18    40     1.09593   112.14036   -62.08302
   41    38 S   CO4  _C18    41     1.51181   111.25821   177.09168
   42    41 S   O    _O33    42     1.22952   121.74307  -151.19510
   43    41 S   CM   _C17    43     1.47897   118.59195    32.01609
   44    43 S   HC   _H16    44     1.08371   117.93539   175.08897
   45    43 S   CM   _C16    45     1.33750   120.32459    -2.85862
   46    45 S   HC   _H15    46     1.08940   117.50548   177.26541
   47    33 S   CT   _C15    47     1.56370   115.28719   154.19684
   48    47 S   CA   _C11    48     1.52417   112.35611   -62.93584
   49    47 S   CT   _C14    71     1.57562   116.02491    51.98390
   50    49 S   HC   _H13    72     1.10126   110.11516   146.52940
   51    49 S   HC   _H14    73     1.09565   112.87037    28.34233
   52    48 S   CR3  _C12    49     1.39538   109.96279   111.86763
   53    52 S   CA   _C7_    50     1.38595   123.31562   173.38630
   54    53 S   CA   _C8_    51     1.39609   117.89732     3.83574
   55    54 S   HA   _H12    52     1.08579   118.15909  -179.38547
   56    53 S   CT   _C6_    62     1.50459   118.53867  -170.53186
   57    56 S   HC   _H10    63     1.09752   107.56353   108.38966
   58    56 S   HC   _H11    64     1.09606   109.83151  -134.44609
   59    54 S   CA   _C9_    53     1.40878   120.37635    -0.51358
   60    56 S   CT   _C5_    65     1.54818   113.80055   -11.78342
   61    60 S   HC   _H8_    66     1.09719   107.90163   160.64133
   62    60 S   HC   _H9_    67     1.09918   108.93852   -83.84661
   63    48 S   CA   _C10    54     1.38995   131.59049   -70.66250
   64    59 S   OS   _O35    57     1.37410   124.49323   179.59797
   65    60 S   NT   _N4_    68     1.48285   112.92131    38.64185
   66    63 S   OH   _O34    55     1.36774   122.17500     3.59009
   67    66 S   HO   _H19    56     0.96935   109.71614    -1.62064
   68    64 S   CT   _C21    58     1.42207   117.22526    -3.69544
   69    68 S   HC   _H20    59     1.09430   107.73709  -177.63769
   70    68 S   HC   _H21    60     1.09486   111.05786    64.72173
   71    68 S   HC   _H22    61     1.09503   111.24387   -59.87375
   72    52 S   CT   _C13    69     1.49654   113.32712    -6.73237
   73    72 S   HC   _H3_    70     1.09666   108.56208   -92.38439
   74    65 S   CT   _C4_    74     1.46285   110.28735   175.88691
   75    74 S   HC   _H5_    75     1.09514   110.86525  -177.42823
   76    74 S   HC   _H6_    76     1.09603   112.28906    61.16351
   77    74 S   HC   _H7_    77     1.09572   110.41050   -59.76285
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   8   2   1   1  10   5   4   6   3   6   3   9   3  12  15
  10   5   4  14  14  11   4   9   5   4   8   9   4   3   5   5
   6   1   1   3   2   1   1   5   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    47    48    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    46    47    48    52    63    72    49    50    51  
   38    39    40    41    45    47    48    49  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    47    48    49  
   40    41    42    43    47  
   41    42    43    47  
   42    43    44    45    46    47  
   43    44    45  
   44    45    46    47    48    49  
   45    46    47  
   46    47    48    52    63    72    49    50    51  
   47    48    49  
   48    52    53    59    63    66    65    72    73    49    50    51  
   52    53    54    59    63    66    67    64    56    65    72    73    49    50    51  
   50    51    74    52    53    60    63    65    72    73  
   51    52    65    72    73  
   52    65    72    73  
   53    54    55    59    63    66    56    57    58    60    65    72    73    74  
   54    55    59    63    64    56    57    58    60    61    62    65    72    73  
   55    59    63    66    64    68    56    57    58    60    72  
   59    63    64    56  
   57    58    60    61    62    65    72    74    59  
   58    60    61    62    65  
   60    61    62    65  
   63    66    67    64    68    69    70    71  
   61    62    65    72    73    74    75    76    77  
   62    65    72    74  
   65    72    74  
   66    67    64    68    72  
   68    69    70    71    66  
   72    73    74    75    76    77  
   67  
    0  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77  
   74  
   75    76    77  
   76    77  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0150   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   268.000  1.529
   33    47   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   320.000  1.462
   43    44   340.000  1.080
   43    45   549.000  1.340
   45    46   340.000  1.080
   45    47   317.000  1.510
   47    48   317.000  1.510
   47    49   268.000  1.529
   48    52   490.000  1.398
   48    63   469.000  1.400
   52    53   490.000  1.398
   52    72   317.000  1.510
   53    54   469.000  1.400
   53    56   317.000  1.510
   54    55   367.000  1.080
   54    59   469.000  1.400
   59    63   469.000  1.400
   59    64   450.000  1.364
   63    66   450.000  1.364
   66    67   553.000  0.945
   64    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   382.000  1.448
   65    72   382.000  1.448
   65    74   382.000  1.448
   72    73   340.000  1.090
   72    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   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    75.00000  111.63000
   29    33    47    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    47    45    70.00000  112.02700
   33    47    48    70.00000  112.17500
   33    47    49    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    65.00000  118.62400
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    40.00000  117.72500
   41    43    45    65.00000  118.96000
   43    41    42    80.00000  123.72100
   43    45    46    35.00000  120.00000
   43    45    47    70.00000  124.00000
   45    43    44    35.00000  120.00000
   45    47    48    70.00000  112.99600
   45    47    49    70.00000  112.02700
   47    33    34    37.50000  110.70000
   47    33    38    58.35000  112.70000
   47    45    46    35.00000  117.00000
   47    48    52    80.00000  105.07000
   47    48    63    70.00000  120.00000
   47    49    72    58.35000  112.70000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   48    52    53    60.00000  130.80000
   48    52    72    70.00000  120.00000
   48    63    59    63.00000  120.00000
   48    63    66    70.00000  120.00000
   52    53    54    70.00000  112.88000
   52    53    56    80.00000  105.07000
   52    72    65    75.00000  112.33000
   52    72    73    35.00000  109.50000
   52    72    49    70.00000  112.17500
   53    54    55    35.00000  120.00000
   53    54    59    63.00000  120.00000
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    60    70.00000  112.17500
   54    59    63    63.00000  120.00000
   54    59    64    70.00000  120.00000
   59    54    55    35.00000  120.00000
   59    63    66    70.00000  120.00000
   59    64    68    75.00000  111.00000
   63    48    52    70.00000  112.88000
   63    66    67    35.00000  113.00000
   64    59    63    70.00000  120.00000
   64    68    69    35.00000  109.50000
   64    68    70    35.00000  109.50000
   64    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   56    53    54    70.00000  120.00000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    65    56.20000  109.47000
   58    56    57    33.00000  107.80000
   60    56    57    37.50000  110.70000
   60    56    58    37.50000  110.70000
   60    65    72    51.80000  107.20000
   60    65    74    51.80000  107.20000
   62    60    61    33.00000  107.80000
   65    60    61    35.00000  109.50000
   65    60    62    35.00000  109.50000
   65    72    73    35.00000  109.50000
   65    72    49    56.20000  109.47000
   65    74    75    35.00000  109.50000
   65    74    76    35.00000  109.50000
   65    74    77    35.00000  109.50000
   72    52    53    70.00000  120.00000
   72    49    50    37.50000  110.70000
   72    49    51    37.50000  110.70000
   49    47    48    70.00000  112.17500
   49    72    73    37.50000  110.70000
   51    49    50    33.00000  107.80000
   74    65    72    51.80000  107.20000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    47    45   0.56750  1.0 1.0
   29    33    47    45  -0.07550 -1.0 2.0
   29    33    47    45   0.20000  1.0 3.0
   29    33    47    48   0.56750  1.0 1.0
   29    33    47    48  -0.07550 -1.0 2.0
   29    33    47    48   0.20000  1.0 3.0
   29    33    47    49   0.44750  1.0 1.0
   29    33    47    49  -0.17800 -1.0 2.0
   29    33    47    49   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.65300  1.0 1.0
   33    38    41    43  -0.03850 -1.0 2.0
   33    38    41    43   0.33900  1.0 3.0
   33    47    48    52   0.04150 -1.0 2.0
   33    47    48    63   0.04150 -1.0 2.0
   33    47    49    72   0.56750  1.0 1.0
   33    47    49    72  -0.07550 -1.0 2.0
   33    47    49    72   0.20000  1.0 3.0
   33    47    49    50   0.15000  1.0 3.0
   33    47    49    51   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    47    45   0.15000  1.0 3.0
   34    33    47    48   0.43200  1.0 3.0
   34    33    47    49   0.15000  1.0 3.0
   38    33    47    45   0.34400  1.0 1.0
   38    33    47    45   0.09450 -1.0 2.0
   38    33    47    45   0.11100  1.0 3.0
   38    33    47    48  -0.03700  1.0 1.0
   38    33    47    48   0.37200 -1.0 2.0
   38    33    47    48  -0.47300  1.0 3.0
   38    33    47    49   0.56750  1.0 1.0
   38    33    47    49  -0.07550 -1.0 2.0
   38    33    47    49   0.20000  1.0 3.0
   38    41    43    44   0.04550  1.0 1.0
   38    41    43    44   0.83000 -1.0 2.0
   38    41    43    44  -0.04000  1.0 3.0
   38    41   -43    45  -0.33500  1.0 1.0
   38    41   -43    45   1.06600 -1.0 2.0
   38    41   -43    45  -0.14000  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    45    46   7.00000 -1.0 2.0
   41    43    45    47   7.00000 -1.0 2.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   1.00000 -1.0 2.0
   43    45   -47    33   0.09850  1.0 1.0
   43    45   -47    33   0.15250 -1.0 2.0
   43    45   -47    33  -0.50650  1.0 3.0
   43    45    47    48   1.44450  1.0 1.0
   43    45    47    48   0.06600 -1.0 2.0
   43    45    47    48   0.29250  1.0 3.0
   43    45    47    49   0.09850  1.0 1.0
   43    45    47    49   0.15250 -1.0 2.0
   43    45    47    49  -0.50650  1.0 3.0
   44    43    45    46   7.00000 -1.0 2.0
   44    43    45    47   7.00000 -1.0 2.0
   45    47    48    52   0.18050 -1.0 2.0
   45    47    48    63   0.18050 -1.0 2.0
   45    47    49    72   0.34400  1.0 1.0
   45    47    49    72   0.09450 -1.0 2.0
   45    47    49    72   0.11100  1.0 3.0
   45    47    49    50   0.15000  1.0 3.0
   45    47    49    51   0.15000  1.0 3.0
   46    45    47    33   0.00000  1.0 1.0
   46    45    47    48   0.00000  1.0 1.0
   46    45    47    49   0.00000  1.0 1.0
   47    33    38    39   0.15000  1.0 3.0
   47    33    38    40   0.15000  1.0 3.0
   47    33   -38    41  -0.95700  1.0 1.0
   47    33   -38    41  -0.18200 -1.0 2.0
   47    33   -38    41   0.29450  1.0 3.0
   47    48    52    53   3.62500 -1.0 2.0
   47    48   -52    72   3.62500 -1.0 2.0
   47    48    63    59   3.62500 -1.0 2.0
   47    48    63    66   3.62500 -1.0 2.0
   48    47   -49    72  -0.03700  1.0 1.0
   48    47   -49    72   0.37200 -1.0 2.0
   48    47   -49    72  -0.47300  1.0 3.0
   48    47    49    50   0.43200  1.0 3.0
   48    47    49    51   0.43200  1.0 3.0
   48    52    53    54   3.62500 -1.0 2.0
   48    52    53    56   3.62500 -1.0 2.0
   48    52    72    65   0.18550 -1.0 2.0
   48    52    72    65   0.14000  1.0 3.0
   48    52    72    73   0.00000  1.0 1.0
   48    52   -72    49   0.04150 -1.0 2.0
   48    63    66    67   0.84100 -1.0 2.0
   52    48    63    59   3.62500 -1.0 2.0
   52    48    63    66   3.62500 -1.0 2.0
   52    53    54    55   3.62500 -1.0 2.0
   52    53   -54    59   3.62500 -1.0 2.0
   52    53    56    57   0.00000  1.0 1.0
   52    53    56    58   0.00000  1.0 1.0
   52    53    56    60   0.04150 -1.0 2.0
   52    72   -49    47  -0.03700  1.0 1.0
   52    72   -49    47   0.37200 -1.0 2.0
   52    72   -49    47  -0.47300  1.0 3.0
   52    72    49    50   0.43200  1.0 3.0
   52    72    49    51   0.43200  1.0 3.0
   53    52    72    65   0.18550 -1.0 2.0
   53    52    72    65   0.14000  1.0 3.0
   53    52    72    73   0.00000  1.0 1.0
   53    52    72    49   0.04150 -1.0 2.0
   53    54    59    63   3.62500 -1.0 2.0
   53    54    59    64   3.62500 -1.0 2.0
   53    56    60    61   0.43200  1.0 3.0
   53    56    60    62   0.43200  1.0 3.0
   53    56   -60    65   0.83750  1.0 1.0
   53    56   -60    65   0.32200 -1.0 2.0
   53    56   -60    65   0.70600  1.0 3.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    58   0.00000  1.0 1.0
   54    53    56    60   0.04150 -1.0 2.0
   54    59   -63    48   3.62500 -1.0 2.0
   54    59    63    66   3.62500 -1.0 2.0
   54    59    64    68   1.63200 -1.0 2.0
   55    54    59    63   3.62500 -1.0 2.0
   55    54    59    64   3.62500 -1.0 2.0
   59    63    66    67   0.84100 -1.0 2.0
   59    64    68    69   0.08050  1.0 3.0
   59    64    68    70   0.08050  1.0 3.0
   59    64    68    71   0.08050  1.0 3.0
   63    48   -52    53   3.62500 -1.0 2.0
   63    48    52    72   3.62500 -1.0 2.0
   63    59    64    68   1.63200 -1.0 2.0
   64    59    63    48   3.62500 -1.0 2.0
   64    59    63    66   3.62500 -1.0 2.0
   56    53    54    55   3.62500 -1.0 2.0
   56    53    54    59   3.62500 -1.0 2.0
   56    60    65    72   0.23450  1.0 1.0
   56    60    65    72   0.02050 -1.0 2.0
   56    60    65    72   0.25250  1.0 3.0
   56    60    65    74   0.58650  1.0 1.0
   56    60    65    74   0.12600 -1.0 2.0
   56    60    65    74   0.33350  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    65   0.15000  1.0 3.0
   58    56    60    61   0.15000  1.0 3.0
   58    56    60    62   0.15000  1.0 3.0
   58    56    60    65   0.15000  1.0 3.0
   60    65   -72    52   0.82600  1.0 1.0
   60    65   -72    52  -0.32100 -1.0 2.0
   60    65   -72    52   1.02000  1.0 3.0
   60    65    72    73   0.28000  1.0 3.0
   60    65    72    49   0.23450  1.0 1.0
   60    65    72    49   0.02050 -1.0 2.0
   60    65    72    49   0.25250  1.0 3.0
   60    65    74    75   0.28000  1.0 3.0
   60    65    74    76   0.28000  1.0 3.0
   60    65    74    77   0.28000  1.0 3.0
   61    60    65    72   0.28000  1.0 3.0
   61    60    65    74   0.28000  1.0 3.0
   62    60    65    72   0.28000  1.0 3.0
   62    60    65    74   0.28000  1.0 3.0
   65    72    49    47   1.53400  1.0 1.0
   65    72    49    47  -0.09950 -1.0 2.0
   65    72    49    47   0.05700  1.0 3.0
   65    72    49    50   0.15000  1.0 3.0
   65    72    49    51   0.15000  1.0 3.0
   72    52    53    54   3.62500 -1.0 2.0
   72    52   -53    56   3.62500 -1.0 2.0
   72    65    74    75   0.28000  1.0 3.0
   72    65    74    76   0.28000  1.0 3.0
   72    65    74    77   0.28000  1.0 3.0
   73    72    49    47   0.15000  1.0 3.0
   73    72    49    50   0.15000  1.0 3.0
   73    72    49    51   0.15000  1.0 3.0
   49    47   -48    52   0.04150 -1.0 2.0
   49    47    48    63   0.04150 -1.0 2.0
   74    65    72    52   0.82600  1.0 1.0
   74    65    72    52  -0.32100 -1.0 2.0
   74    65    72    52   1.02000  1.0 3.0
   74    65    72    73   0.28000  1.0 3.0
   74    65    72    49   0.58650  1.0 1.0
   74    65    72    49   0.12600 -1.0 2.0
   74    65    72    49   0.33350  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
   36    30    35    37  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   41    44    43    45   1.10000 -1.0 2.0
   47    46    45    43   1.10000 -1.0 2.0
   52    63    48    47   4.00000 -1.0 2.0
   53    72    52    48   4.00000 -1.0 2.0
   54    56    53    52   4.00000 -1.0 2.0
   59    55    54    53   1.10000 -1.0 2.0
   63    64    59    54   4.00000 -1.0 2.0
   59    66    63    48   4.00000 -1.0 2.0
END
