* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    139    207     395
    1     0 S   NP   _N1_     1    28.89670    93.49648   -21.30262
    2     1 S   H    _HN1     2     1.02779    90.04395   -82.13917
    3     1 S   H    _H1_     3     1.02962    96.72279    26.33574
    4     1 S   H    _H2_     4     1.02839    25.40558   142.23926
    5     1 S   CT   _CA1     5     1.50068   135.70362   154.92924
    6     5 S   HC   _HA1     6     1.09566   105.30165    53.24225
    7     5 S   CO3  _C1_     7     1.53868   112.62385   -67.10909
    8     7 S   O2Z  _O11     8     1.26350   115.04157   -39.17043
    9     7 S   O2Z  _O12     9     1.26271   115.02023   140.55759
   10     5 S   CT   _CB1    10     1.53159   107.49067   171.37406
   11    10 S   HC   HB11    11     1.09807   109.60793   -50.06906
   12    10 S   HC   HB12    12     1.09826   110.27207    66.61831
   13    10 S   CT   _CG1    13     1.52910   112.48319  -171.20806
   14    13 S   HC   HG11    14     1.09469   110.13622   -59.69935
   15    13 S   HC   HG12    15     1.09626   110.18945    59.41177
   16    13 S   C    _CD1    16     1.51689   112.62289  -179.88297
   17    16 S   O    _OE1    17     1.22674   123.35191   -10.54643
   18    16 S   N    _N2_    18     1.38591   111.33030   169.74934
   19    18 S   H    _HN2    19     1.01500   118.84822     1.96732
   20    18 S   CT1  _CA2    20     1.46105   123.67529  -177.22392
   21    20 S   HC   _HA2    21     1.09712   109.31582   -14.62041
   22    20 S   C    _C2_    22     1.53414   108.37368  -130.63443
   23    22 S   O    _O2_    23     1.23019   122.20786  -146.89364
   24    20 S   CT   _CB2    32     1.53423   111.46590   107.54324
   25    24 S   HC   HB21    33     1.09491   109.93966    57.21386
   26    24 S   HC   HB22    34     1.09536   110.24439   175.88325
   27    22 S   N    _N3_    24     1.38478   113.43993    40.30276
   28    27 S   H    _HN3    25     1.01527   118.93797    -0.07913
   29    24 S   S    _SG2    35     1.82514   112.18694   -64.13528
   30    27 S   CT   _CA3    26     1.45432   123.36065   175.49002
   31    30 S   HC   HA31    27     1.09531   109.15403    25.93676
   32    30 S   HC   HA32    28     1.09493   107.13993   142.91900
   33    29 S   CTHO _C21    36     1.81694    98.71165   174.20701
   34    33 S   F    _F25    37     1.36131   108.14425   173.02551
   35    33 S   HC   _H3_    38     1.09536   108.24791    54.96540
   36    30 S   CO3  _C3_    29     1.52921   113.15651   -97.49253
   37    36 S   O2Z  _O31    30     1.26399   115.41744   -44.04720
   38    36 S   O2Z  _O32    31     1.26355   114.96246   136.87989
   39    33 S   OS   _O23    39     1.42469   111.27194   -68.39841
   40    39 S   CA   _C9_    40     1.37031   118.25909   177.68590
   41    40 S   CA   _C7_    41     1.40166   124.16595    -5.57000
   42    41 S   HA   _H30    42     1.08549   122.06374     0.57232
   43    41 S   CA   _C5_    43     1.39571   120.71888  -179.57204
   44    43 S   HA   _H28    44     1.08642   119.90227  -179.95577
   45    43 S   CA   _C4_    45     1.38877   120.13099    -0.01978
   46    45 S   HA   _H27    46     1.08602   120.17033   180.00000
   47    45 S   CA   _C6_    47     1.39284   119.75224    -0.08847
   48    47 S   HA   _H29    48     1.08795   118.48368  -180.00000
   49    40 S   CA   _C8_    49     1.41203   116.33383   174.70617
   50    49 S   CT   _C17    50     1.52906   123.44588    -0.27411
   51    50 S   HC   _H33    51     1.10025   108.10944  -177.16020
   52    50 S   CM   _C10    52     1.50034   113.02273   -60.65399
   53    52 S   CM   _C12    53     1.33147   122.81854   129.77002
   54    53 S   CT   _C16    54     1.46889   111.83886   179.20944
   55    54 S   HC   _H31    55     1.09365   112.58183   117.06858
   56    54 S   HC   _H32    56     1.09337   112.67079  -117.38427
   57    53 S   NE   _N19    60     1.36673   122.35683     0.28462
   58    57 S   H    _H43    61     1.01280   118.89525   175.78165
   59    54 S   OS   _O22    57     1.43854   103.02914    -0.20463
   60    57 S   CM   _C13    62     1.39139   121.78562    -1.11188
   61    52 S   CO4  _C14    58     1.45808   130.37271   -52.11006
   62    61 S   O    _O20    59     1.21811   125.88132     0.32924
   63    50 S   CM   _C11    63     1.54287   113.01093    66.32920
   64    60 S   CT   _C18    74     1.50550   115.63859   177.32533
   65    64 S   HC   _H34    75     1.09579   110.68148   -34.70009
   66    64 S   HC   _H35    76     1.09426   112.53917  -153.55615
   67    64 S   HC   _H36    77     1.09334   110.41990    85.11330
   68    63 S   CO4  _C15    64     1.48092   116.41838    50.29261
   69    68 S   O    _O21    65     1.22107   123.71171    53.41140
   70    68 S   OS   _O24    66     1.35861   108.87448  -122.95033
   71    70 S   CT   _C20    67     1.43375   115.64555   177.20978
   72    71 S   HC   _H40    68     1.09541   109.42011   -62.10662
   73    71 S   HC   _H41    69     1.09546   109.66501    58.27027
   74    71 S   CT   _C19    70     1.51562   107.97129   178.13072
   75    74 S   HC   _H37    71     1.09509   110.54716   -59.60515
   76    74 S   HC   _H38    72     1.09515   110.62723    58.55152
   77    74 S   HC   _H39    73     1.09345   110.93970   179.53648
  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   5   5   4   3
   6   3   2   2   1   1   7  12   8   4   6   3   5   3   6   2
   8  14   6  12  11   8   4   3  10   3   2   8   2   1   8   4
   2   1   1   6   2   7   6   5   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    49  
   35    39    40  
   39    40  
   37    38  
   38  
    0  
   40    41    42    43    47    49    50  
   41    42    43    44    45    47    48    49    50    51    52    63  
   42    43    44    45    46    47    49    50  
   43    44    45    49  
   44    45    46    47    48    49  
   45    46    47  
   46    47    48    49    50  
   47    48    49  
   48    49    50    51    52    63  
   49    50  
   50    51    52    53    61    60    63    68  
   51    52    53    54    59    61    62    57    60    63    68    69    70    64  
   52    53    61    60    63    68  
   53    54    55    56    59    61    62    57    58    60    63    68  
   54    55    56    59    61    62    57    58    60    63    64  
   55    56    59    61    62    57    58    60  
   56    59    61    57  
   59    61    57  
   58    60    63    68    64    65    66    67    59    61  
   60    63    64  
   61    62  
   63    68    69    70    64    65    66    67  
   62    63  
    0  
   68    69    70    71    64    65    66    67  
   65    66    67    68  
   66    67  
   67  
    0  
   69    70    71    72    73    74  
   70    71  
   71    72    73    74    75    76    77  
   72    73    74    75    76    77  
   73    74    75    76    77  
   74    75    76    77  
   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  -0.316400   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   0.583800   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9400   0.0610  -0.269000   2.4980   2.2250   0.001000000   0.985400000
   35   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   2.9000   0.1400  -0.341700   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0700   0.145800   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0760  -0.051000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.2500   0.1700  -0.389700   1.8650   1.6500   0.051222218  -2.220205820
   58   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   59   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   60   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   71   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   455.000  1.355
   33    35   375.000  1.089
   33    39   470.000  1.351
   39    40   450.000  1.364
   40    41   469.000  1.400
   40    49   469.000  1.400
   41    42   367.000  1.080
   41    43   469.000  1.400
   43    44   367.000  1.080
   43    45   469.000  1.400
   45    46   367.000  1.080
   45    47   469.000  1.400
   47    48   367.000  1.080
   47    49   469.000  1.400
   49    50   317.000  1.510
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    63   317.000  1.510
   52    53   549.000  1.340
   52    61   320.000  1.462
   53    54   317.000  1.510
   53    57   425.000  1.378
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   320.000  1.410
   59    61   214.000  1.327
   61    62   570.000  1.229
   57    58   434.000  1.010
   57    60   425.000  1.378
   60    63   549.000  1.340
   60    64   317.000  1.510
   63    68   320.000  1.462
   68    69   570.000  1.229
   68    70   214.000  1.327
   70    71   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    90.00000  110.13500
   29    33    35    35.00000  109.50000
   29    33    39    85.00000  114.68000
   33    39    40    90.00000  114.16000
   35    33    34    55.00000  109.56900
   39    33    34   110.00000  110.36100
   39    33    35    60.00000  110.43500
   39    40    41    70.00000  120.00000
   39    40    49    70.00000  120.00000
   40    41    42    35.00000  120.00000
   40    41    43    63.00000  120.00000
   40    49    47    63.00000  120.00000
   40    49    50    70.00000  120.00000
   41    43    44    35.00000  120.00000
   41    43    45    63.00000  120.00000
   43    41    42    35.00000  120.00000
   43    45    46    35.00000  120.00000
   43    45    47    63.00000  120.00000
   45    43    44    35.00000  120.00000
   45    47    48    35.00000  120.00000
   45    47    49    63.00000  120.00000
   47    45    46    35.00000  120.00000
   47    49    50    70.00000  120.00000
   49    40    41    63.00000  120.00000
   49    47    48    35.00000  120.00000
   49    50    51    35.00000  109.50000
   49    50    52    70.00000  112.99600
   49    50    63    70.00000  112.99600
   50    52    53    70.00000  124.00000
   50    52    61    65.00000  116.34900
   50    63    60    70.00000  124.00000
   50    63    68    65.00000  116.34900
   52    50    51    35.00000  109.50000
   52    53    54    70.00000  124.00000
   52    53    57    70.00000  124.03900
   52    61    59    90.00000  111.29400
   52    61    62    80.00000  123.72100
   53    54    55    35.00000  109.50000
   53    54    56    35.00000  109.50000
   53    54    59    85.00000  110.90400
   53    57    58    35.00000  114.50000
   53    57    60    75.00000  118.45600
   54    59    61    83.00000  116.90000
   56    54    55    33.00000  107.80000
   59    54    55    35.00000  109.50000
   59    54    56    35.00000  109.50000
   59    61    62    83.00000  123.40000
   61    52    53    65.00000  118.96000
   57    53    54    75.00000  116.24600
   57    60    63    70.00000  124.03900
   57    60    64    75.00000  116.24600
   60    57    58    35.00000  114.50000
   60    63    68    65.00000  118.96000
   60    64    65    35.00000  109.50000
   60    64    66    35.00000  109.50000
   60    64    67    35.00000  109.50000
   63    50    51    35.00000  109.50000
   63    50    52    70.00000  110.12100
   63    68    69    80.00000  123.72100
   63    68    70    90.00000  111.29400
   68    70    71    83.00000  116.90000
   70    68    69    83.00000  123.40000
   70    71    72    35.00000  109.50000
   70    71    73    35.00000  109.50000
   70    71    74    50.00000  109.50000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    37.50000  110.70000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   64    60    63    70.00000  124.00000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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    39    40   0.14700  1.0 1.0
   29    33    39    40  -1.16150 -1.0 2.0
   29    33    39    40   0.48700  1.0 3.0
   33    39    40    41   1.11600 -1.0 2.0
   33    39    40    49   1.11600 -1.0 2.0
   34    33    39    40   0.73750  1.0 1.0
   34    33    39    40  -2.02850 -1.0 2.0
   34    33    39    40   0.37850  1.0 3.0
   35    33    39    40   0.08050  1.0 3.0
   39    40    41    42   3.62500 -1.0 2.0
   39    40    41    43   3.62500 -1.0 2.0
   39    40    49    47   3.62500 -1.0 2.0
   39    40    49    50   3.62500 -1.0 2.0
   40    41    43    44   3.62500 -1.0 2.0
   40    41    43    45   3.62500 -1.0 2.0
   40    49    50    51   0.00000  1.0 1.0
   40    49    50    52   0.18050 -1.0 2.0
   40    49    50    63   0.18050 -1.0 2.0
   41    40    49    47   3.62500 -1.0 2.0
   41    40    49    50   3.62500 -1.0 2.0
   41    43    45    46   3.62500 -1.0 2.0
   41    43   -45    47   3.62500 -1.0 2.0
   42    41    43    44   3.62500 -1.0 2.0
   42    41    43    45   3.62500 -1.0 2.0
   43    45    47    48   3.62500 -1.0 2.0
   43    45    47    49   3.62500 -1.0 2.0
   44    43    45    46   3.62500 -1.0 2.0
   44    43    45    47   3.62500 -1.0 2.0
   45    47   -49    40   3.62500 -1.0 2.0
   45    47    49    50   3.62500 -1.0 2.0
   46    45    47    48   3.62500 -1.0 2.0
   46    45    47    49   3.62500 -1.0 2.0
   47    49    50    51   0.00000  1.0 1.0
   47    49    50    52   0.18050 -1.0 2.0
   47    49    50    63   0.18050 -1.0 2.0
   48    47    49    40   3.62500 -1.0 2.0
   48    47    49    50   3.62500 -1.0 2.0
   49    40    41    42   3.62500 -1.0 2.0
   49    40   -41    43   3.62500 -1.0 2.0
   49    50    52    53   1.44450  1.0 1.0
   49    50    52    53   0.06600 -1.0 2.0
   49    50    52    53   0.29250  1.0 3.0
   49    50    52    61   0.09700  1.0 1.0
   49    50    52    61   0.15600 -1.0 2.0
   49    50    52    61  -0.50800  1.0 3.0
   49    50    63    60   1.44450  1.0 1.0
   49    50    63    60   0.06600 -1.0 2.0
   49    50    63    60   0.29250  1.0 3.0
   49    50    63    68   0.09700  1.0 1.0
   49    50    63    68   0.15600 -1.0 2.0
   49    50    63    68  -0.50800  1.0 3.0
   50    52    53    54   7.00000 -1.0 2.0
   50    52    53    57   7.00000 -1.0 2.0
   50    52    61    59  -0.15000  1.0 1.0
   50    52    61    59   0.89550 -1.0 2.0
   50    52    61    59  -0.06900  1.0 3.0
   50    52    61    62  -0.64400  1.0 1.0
   50    52    61    62   0.26850 -1.0 2.0
   50    63    68    69  -0.64400  1.0 1.0
   50    63    68    69   0.26850 -1.0 2.0
   50    63    68    70  -0.15000  1.0 1.0
   50    63    68    70   0.89550 -1.0 2.0
   50    63    68    70  -0.06900  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    61   0.15000  1.0 3.0
   51    50    63    60   0.00000  1.0 1.0
   51    50    63    68   0.15000  1.0 3.0
   52    50    63    60  -0.28300  1.0 1.0
   52    50    63    60   0.26700 -1.0 2.0
   52    50    63    60  -0.63300  1.0 3.0
   52    50    63    68   0.09700  1.0 1.0
   52    50    63    68   0.15600 -1.0 2.0
   52    50    63    68  -0.50800  1.0 3.0
   52    53    54    55   0.00000  1.0 1.0
   52    53    54    56   0.00000  1.0 1.0
   52    53   -54    59   0.39000  1.0 1.0
   52    53   -54    59  -0.05800 -1.0 2.0
   52    53   -54    59  -0.55150  1.0 3.0
   52    53    57    58   1.00000 -1.0 2.0
   52    53   -57    60  -0.54500  1.0 1.0
   52    53   -57    60   1.14150 -1.0 2.0
   53    52   -61    59  -0.56150  1.0 1.0
   53    52   -61    59   2.19150 -1.0 2.0
   53    52    61    62   1.00000 -1.0 2.0
   53    54   -59    61  -0.82050  1.0 1.0
   53    54   -59    61   0.00600 -1.0 2.0
   53    54   -59    61   0.04400  1.0 3.0
   53    57    60    63  -0.54500  1.0 1.0
   53    57    60    63   1.14150 -1.0 2.0
   53    57    60    64   1.00000 -1.0 2.0
   54    53    57    58   2.40850 -1.0 2.0
   54    53    57    60   1.00000 -1.0 2.0
   54    59   -61    52   2.00000 -1.0 2.0
   54    59    61    62   3.00000 -1.0 2.0
   55    54    59    61   0.08050  1.0 3.0
   56    54    59    61   0.08050  1.0 3.0
   61    52   -53    54   7.00000 -1.0 2.0
   61    52    53    57   7.00000 -1.0 2.0
   57    53    54    55  -0.18050  1.0 3.0
   57    53    54    56  -0.18050  1.0 3.0
   57    53    54    59   0.09700  1.0 1.0
   57    53    54    59   0.15600 -1.0 2.0
   57    53    54    59  -0.50800  1.0 3.0
   57    60   -63    50   7.00000 -1.0 2.0
   57    60    63    68   7.00000 -1.0 2.0
   57    60    64    65  -0.18050  1.0 3.0
   57    60    64    66  -0.18050  1.0 3.0
   57    60    64    67  -0.18050  1.0 3.0
   58    57    60    63   1.00000 -1.0 2.0
   58    57    60    64   2.40850 -1.0 2.0
   60    63    68    69   1.00000 -1.0 2.0
   60    63    68    70  -0.56150  1.0 1.0
   60    63    68    70   2.19150 -1.0 2.0
   63    50   -52    53  -0.28300  1.0 1.0
   63    50   -52    53   0.26700 -1.0 2.0
   63    50   -52    53  -0.63300  1.0 3.0
   63    50    52    61   0.09700  1.0 1.0
   63    50    52    61   0.15600 -1.0 2.0
   63    50    52    61  -0.50800  1.0 3.0
   63    60    64    65   0.00000  1.0 1.0
   63    60    64    66   0.00000  1.0 1.0
   63    60    64    67   0.00000  1.0 1.0
   63    68    70    71   2.00000 -1.0 2.0
   68    70    71    72   0.08050  1.0 3.0
   68    70    71    73   0.08050  1.0 3.0
   68    70    71    74  -0.25900  1.0 1.0
   68    70    71    74  -0.47000 -1.0 2.0
   68    70    71    74   0.11750  1.0 3.0
   69    68    70    71   3.00000 -1.0 2.0
   70    71    74    75   0.23400  1.0 3.0
   70    71    74    76   0.23400  1.0 3.0
   70    71    74    77   0.23400  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    77   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    76   0.15000  1.0 3.0
   73    71    74    77   0.15000  1.0 3.0
   64    60    63    50   7.00000 -1.0 2.0
   64    60    63    68   7.00000 -1.0 2.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   41    49    40    39   4.00000 -1.0 2.0
   43    42    41    40   1.10000 -1.0 2.0
   45    44    43    41   1.10000 -1.0 2.0
   47    46    45    43   1.10000 -1.0 2.0
   49    48    47    45   1.10000 -1.0 2.0
   47    50    49    40   4.00000 -1.0 2.0
   50    61    52    53   1.10000 -1.0 2.0
   54    57    53    52   1.10000 -1.0 2.0
   52    59    61    62  10.50000 -1.0 2.0
   58    53    57    60   1.00000 -1.0 2.0
   57    64    60    63   1.10000 -1.0 2.0
   50    68    63    60   1.10000 -1.0 2.0
   63    70    68    69  10.50000 -1.0 2.0
END
