* LIGAND DATABASE FILE (OPLS2005)
*
001      88    87    156    224     454
    1     0 S   NP   _N1_     1    29.35859    95.08178   -26.92547
    2     1 S   H    _HN1     2     1.02793   126.93292  -107.61521
    3     1 S   H    _H1_     3     1.02947    83.05877     0.17914
    4     1 S   H    _H2_     4     1.02827    26.20097  -156.49204
    5     1 S   CT   _CA1     5     1.50123   111.23601   109.44127
    6     5 S   HC   _HA1     6     1.09575   105.16882    87.33832
    7     5 S   CO3  _C1_     7     1.53761   112.44832   -32.86472
    8     7 S   O2Z  _O11     8     1.26373   115.00704   -43.14110
    9     7 S   O2Z  _O12     9     1.26235   114.93422   135.88225
   10     5 S   CT   _CB1    10     1.53062   107.40702  -154.72062
   11    10 S   HC   HB11    11     1.09840   109.30286   -49.71904
   12    10 S   HC   HB12    12     1.09810   110.48465    66.86141
   13    10 S   CT   _CG1    13     1.53023   112.65236  -170.67355
   14    13 S   HC   HG11    14     1.09571   110.70969   -67.32064
   15    13 S   HC   HG12    15     1.09670   109.71586    51.93012
   16    13 S   C    _CD1    16     1.51818   112.02209   172.37393
   17    16 S   O    _OE1    17     1.22756   123.19168    11.19811
   18    16 S   N    _N2_    18     1.38657   111.82452  -168.74747
   19    18 S   H    _HN2    19     1.01578   118.98323     1.03211
   20    18 S   CT1  _CA2    20     1.46219   123.35724   176.43740
   21    20 S   HC   _HA2    21     1.09739   109.26731     7.18810
   22    20 S   C    _C2_    22     1.53680   108.85527  -108.29745
   23    22 S   O    _O2_    23     1.23083   122.23494  -148.99478
   24    20 S   CT   _CB2    32     1.53338   111.70305   129.16164
   25    24 S   HC   HB21    33     1.09592   110.10575    56.63874
   26    24 S   HC   HB22    34     1.09420   109.97233   175.57871
   27    22 S   N    _N3_    24     1.38309   113.87396    38.50733
   28    27 S   H    _HN3    25     1.01546   119.61962    -3.20723
   29    24 S   S    _SG2    35     1.82725   111.59184   -64.13074
   30    27 S   CT   _CA3    26     1.45287   123.29430   177.20852
   31    30 S   HC   HA31    27     1.09547   107.50515   -64.98743
   32    30 S   HC   HA32    28     1.09554   108.00842    51.47798
   33    29 S   CT   _C22    36     1.84325    99.41976   178.58986
   34    33 S   HC   _H3_    37     1.09455   107.24852   -38.00937
   35    30 S   CO3  _C3_    29     1.52978   114.02697   173.47827
   36    35 S   O2Z  _O31    30     1.26385   116.06711    -0.61166
   37    35 S   O2Z  _O32    31     1.26422   114.42239   179.44857
   38    33 S   CM   _C10    38     1.51287   107.17014  -157.07230
   39    38 S   HC   _H28    39     1.08854   115.10784   -66.06956
   40    33 S   CT   _C19    57     1.54182   109.72165    81.48448
   41    40 S   HC   _H46    58     1.09737   110.22072   -54.66208
   42    40 S   HC   _H47    59     1.09889   109.81312    62.05771
   43    38 S   CMA  _C11    40     1.35321   125.86106   114.76946
   44    43 S   OM   _O22    41     1.25924   130.22794    -0.77632
   45    40 S   CT   _C16    60     1.53634   114.31514  -176.72189
   46    45 S   HC   _H40    61     1.09618   110.34711   -58.79384
   47    45 S   HC   _H41    62     1.09716   108.41202  -174.52213
   48    43 S   NE   _N21    42     1.38352   122.03155   179.25875
   49    48 S   H    _H54    43     1.01481   112.70679   179.68348
   50    45 S   CM   _C9_    63     1.50225   112.82341    66.34734
   51    50 S   HC   _H27    64     1.08771   116.45621    61.90470
   52    48 S   CT   _C21    44     1.44910   128.72988     0.06853
   53    52 S   HC   _H50    45     1.09678   109.46868    58.97647
   54    52 S   HC   _H51    46     1.09682   109.46248   -58.51277
   55    50 S   CM   _C8_    65     1.34119   123.54209  -118.48642
   56    55 S   HC   _H26    66     1.08761   119.45588     0.56855
   57    52 S   CT   _C23    47     1.53831   112.49177  -179.73386
   58    57 S   HC   _H53    48     1.09824   106.79449   179.88986
   59    55 S   CM   _C7_    67     1.44539   123.19255   180.00000
   60    59 S   HC   _H25    68     1.08788   117.17179     1.07593
   61    57 S   CT   _C13    49     1.52961   112.27125   -62.92929
   62    61 S   HC   _H32    50     1.09465   111.95020    66.54642
   63    61 S   HC   _H33    51     1.09538   110.50325  -173.50119
   64    61 S   HC   _H34    52     1.09506   110.77585   -54.23224
   65    57 S   CT   _C14    53     1.52962   112.26240    62.70819
   66    65 S   HC   _H35    54     1.09468   111.94366   -66.52101
   67    65 S   HC   _H36    55     1.09538   110.50543   173.52470
   68    65 S   HC   _H37    56     1.09506   110.77606    54.25058
   69    59 S   CM   _C6_    69     1.34024   122.89190  -178.77683
   70    69 S   HC   _H24    70     1.08590   120.93039     0.14127
   71    69 S   CZ   _C4_    71     1.42102   121.49371  -179.98022
   72    71 S   CZ   _C5_    72     1.20101   179.81655   164.94129
   73    72 S   CT   _C15    73     1.46910   179.92867    90.65903
   74    73 S   HC   _H38    74     1.09627   109.47058    21.48754
   75    73 S   HC   _H39    75     1.09627   109.47353   -95.58490
   76    73 S   CT   _C18    76     1.52865   111.09441   142.94900
   77    76 S   HC   _H44    77     1.09770   109.75275    58.48128
   78    76 S   HC   _H45    78     1.09769   109.75606   -58.45681
   79    76 S   CT   _C20    79     1.52970   111.35786  -180.00000
   80    79 S   HC   _H48    80     1.09688   109.56993   -58.61954
   81    79 S   HC   _H49    81     1.09688   109.56999    58.65730
   82    79 S   CT   _C17    82     1.52854   111.33978  -179.97202
   83    82 S   HC   _H42    83     1.09625   109.86706   -58.86115
   84    82 S   HC   _H43    84     1.09626   109.86625    58.86888
   85    82 S   CT   _C12    85     1.52038   111.49530  -179.98022
   86    85 S   HC   _H29    86     1.09471   111.00076   -60.25948
   87    85 S   HC   _H30    87     1.09472   111.00119    60.26066
   88    85 S   HC   _H31    88     1.09453   110.26035  -179.98022
  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
  13   7   2   1   1  10   4   9   5   4   7   3   7   4   3   8
   4   6   3  12   5   4   6   3   9   8   5   3   7   3   2   1
   3   2   1   1   4   2   5   7   9   5   4   9   5   4   9   5
   4   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    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    48    40    41    42    45    46    47    50  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    48    49    52    40    41    42    45  
   43    44    48    40  
   41    42    45    46    47    50    51    55    43  
   42    45    46    47    50  
   45    46    47    50  
   44    48    49    52    53    54    57  
   48    49    52  
   46    47    50    51    55    56    59  
   47    50    51    55  
   50    51    55  
   49    52    53    54    57    58    61    65  
   52    53    54    57  
   51    55    56    59    60    69  
   55    56    59  
   53    54    57    58    61    62    63    64    65    66    67    68  
   54    57    58    61    65  
   57    58    61    65  
   56    59    60    69    70    71  
   59    60    69  
   58    61    62    63    64    65    66    67    68  
   61    62    63    64    65    66    67    68  
   60    69    70    71    72  
   69    70    71  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65  
   65  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73  
   71    72  
   72    73    74    75    76  
   73    74    75    76    77    78    79  
   74    75    76    77    78    79    80    81    82  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80    81    82    83    84    85  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82    83    84    85    86    87    88  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85    86    87    88  
   84    85    86    87    88  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.2500   0.1700  -1.111500   1.8650   1.6500   0.051222218  -2.220205820
   49   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   72   3.6500   0.1500   0.000000   2.0580   1.8250   0.025318638  -1.264311570
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   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  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   465.000  1.376
   43    44   745.000  1.250
   43    48   415.000  1.382
   48    49   434.000  1.010
   48    52   382.000  1.448
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    61   268.000  1.529
   57    65   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   317.000  1.510
   50    51   340.000  1.080
   50    55   549.000  1.340
   55    56   340.000  1.080
   55    59   380.000  1.444
   59    60   340.000  1.080
   59    69   549.000  1.340
   69    70   340.000  1.080
   69    71   400.000  1.423
   71    72   985.000  1.221
   72    73   390.000  1.470
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   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  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    48    75.00000  114.40000
   43    38    39    40.00000  120.50800
   43    48    49    50.00000  121.48000
   43    48    52    50.00000  121.00000
   48    43    44   105.00000  113.92000
   48    52    53    35.00000  109.50000
   48    52    54    35.00000  109.50000
   48    52    57    80.00000  111.61500
   52    48    49    35.00000  112.50000
   52    57    58    37.50000  110.70000
   52    57    61    58.35000  112.70000
   52    57    65    58.35000  112.70000
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    64    37.50000  110.70000
   57    65    66    37.50000  110.70000
   57    65    67    37.50000  110.70000
   57    65    68    37.50000  110.70000
   61    57    58    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    57    58    37.50000  110.70000
   65    57    61    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    50    70.00000  112.02700
   42    40    41    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    42    37.50000  110.70000
   45    50    51    35.00000  117.00000
   45    50    55    70.00000  124.00000
   47    45    46    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    35.00000  109.50000
   50    55    56    35.00000  120.00000
   50    55    59    70.00000  123.01800
   55    50    51    35.00000  120.00000
   55    59    60    35.00000  120.00000
   55    59    69    70.00000  123.01800
   59    55    56    35.00000  120.00000
   59    69    70    35.00000  120.00000
   59    69    71    65.00000  121.28400
   69    59    60    35.00000  120.00000
   69    71    72    30.00000  178.29000
   71    69    70    40.00000  117.14900
   71    72    73    30.00000  179.48800
   72    73    74    35.00000  108.50000
   72    73    75    35.00000  108.50000
   72    73    76    58.35000  112.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   79    82    85    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   82    85    86    37.50000  110.70000
   82    85    87    37.50000  110.70000
   82    85    88    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    37.50000  110.70000
   85    82    84    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   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   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.44750  1.0 1.0
   29    33    40    45  -0.17800 -1.0 2.0
   29    33    40    45   0.20200  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    40    45    46   0.15000  1.0 3.0
   33    40    45    47   0.15000  1.0 3.0
   33    40    45    50   0.34400  1.0 1.0
   33    40    45    50   0.09450 -1.0 2.0
   33    40    45    50   0.11100  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   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   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45   0.34400  1.0 1.0
   38    33    40    45   0.09450 -1.0 2.0
   38    33    40    45   0.11100  1.0 3.0
   38    43    48    49   1.00000 -1.0 2.0
   38    43    48    52  -0.54700  1.0 1.0
   38    43    48    52   1.23000 -1.0 2.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    48   7.00000 -1.0 2.0
   43    48    52    53   0.00000  1.0 1.0
   43    48    52    54   0.00000  1.0 1.0
   43    48    52    57   0.25450  1.0 1.0
   43    48    52    57  -0.61700 -1.0 2.0
   43    48    52    57  -0.23550  1.0 3.0
   44    43    48    49   1.00000 -1.0 2.0
   44    43    48    52   1.00000 -1.0 2.0
   48    52    57    58   0.22950  1.0 3.0
   48    52    57    61   1.26750  1.0 1.0
   48    52    57    61  -0.00950 -1.0 2.0
   48    52    57    61   0.30600  1.0 3.0
   48    52    57    65   1.26750  1.0 1.0
   48    52    57    65  -0.00950 -1.0 2.0
   48    52    57    65   0.30600  1.0 3.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    54   0.00000  1.0 1.0
   49    48    52    57   0.00000  1.0 1.0
   52    57    61    62   0.15000  1.0 3.0
   52    57    61    63   0.15000  1.0 3.0
   52    57    61    64   0.15000  1.0 3.0
   52    57    65    66   0.15000  1.0 3.0
   52    57    65    67   0.15000  1.0 3.0
   52    57    65    68   0.15000  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    61   0.15000  1.0 3.0
   53    52    57    65   0.15000  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    61   0.15000  1.0 3.0
   54    52    57    65   0.15000  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    63   0.15000  1.0 3.0
   58    57    61    64   0.15000  1.0 3.0
   58    57    65    66   0.15000  1.0 3.0
   58    57    65    67   0.15000  1.0 3.0
   58    57    65    68   0.15000  1.0 3.0
   61    57    65    66   0.15000  1.0 3.0
   61    57    65    67   0.15000  1.0 3.0
   61    57    65    68   0.15000  1.0 3.0
   65    57    61    62   0.15000  1.0 3.0
   65    57    61    63   0.15000  1.0 3.0
   65    57    61    64   0.15000  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   40    45    50    51   0.00000  1.0 1.0
   40    45    50    55   0.09850  1.0 1.0
   40    45    50    55   0.15250 -1.0 2.0
   40    45    50    55  -0.50650  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    50   0.15000  1.0 3.0
   42    40    45    46   0.15000  1.0 3.0
   42    40    45    47   0.15000  1.0 3.0
   42    40    45    50   0.15000  1.0 3.0
   45    50    55    56   7.00000 -1.0 2.0
   45    50    55    59   7.00000 -1.0 2.0
   46    45    50    51   0.33100  1.0 3.0
   46    45    50    55   0.00000  1.0 1.0
   47    45    50    51   0.33100  1.0 3.0
   47    45    50    55   0.00000  1.0 1.0
   50    55    59    60  -0.18600  1.0 3.0
   50    55    59    69   0.28850  1.0 1.0
   50    55    59    69   2.61350 -1.0 2.0
   50    55    59    69   0.78400  1.0 3.0
   51    50    55    56   7.00000 -1.0 2.0
   51    50    55    59   7.00000 -1.0 2.0
   55    59    69    70   7.00000 -1.0 2.0
   55    59    69    71   7.00000 -1.0 2.0
   56    55    59    60   0.00000  1.0 1.0
   56    55    59    69  -0.18600  1.0 3.0
   59    69    71    72   0.00000  1.0 1.0
   60    59    69    70   7.00000 -1.0 2.0
   60    59    69    71   7.00000 -1.0 2.0
   69    71    72    73   0.00000  1.0 1.0
   70    69    71    72   0.00000  1.0 1.0
   71    72    73    74   0.00000  1.0 1.0
   71    72    73    75   0.00000  1.0 1.0
   71    72    73    76   0.00000  1.0 1.0
   72    73    76    77   0.15000  1.0 3.0
   72    73    76    78   0.15000  1.0 3.0
   72    73    76    79  -0.74000  1.0 1.0
   72    73    76    79   0.24050 -1.0 2.0
   72    73    76    79   0.24650  1.0 3.0
   73    76    79    80   0.15000  1.0 3.0
   73    76    79    81   0.15000  1.0 3.0
   73    76    79    82   0.56750  1.0 1.0
   73    76    79    82  -0.07550 -1.0 2.0
   73    76    79    82   0.20000  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79   0.15000  1.0 3.0
   76    79    82    83   0.15000  1.0 3.0
   76    79    82    84   0.15000  1.0 3.0
   76    79    82    85   0.56750  1.0 1.0
   76    79    82    85  -0.07550 -1.0 2.0
   76    79    82    85   0.20000  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82   0.15000  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81   0.15000  1.0 3.0
   78    76    79    82   0.15000  1.0 3.0
   79    82    85    86   0.15000  1.0 3.0
   79    82    85    87   0.15000  1.0 3.0
   79    82    85    88   0.15000  1.0 3.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   80    79    82    85   0.15000  1.0 3.0
   81    79    82    83   0.15000  1.0 3.0
   81    79    82    84   0.15000  1.0 3.0
   81    79    82    85   0.15000  1.0 3.0
   83    82    85    86   0.15000  1.0 3.0
   83    82    85    87   0.15000  1.0 3.0
   83    82    85    88   0.15000  1.0 3.0
   84    82    85    86   0.15000  1.0 3.0
   84    82    85    87   0.15000  1.0 3.0
   84    82    85    88   0.15000  1.0 3.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    43  15.00000 -1.0 2.0
   48    44    43    38  15.00000 -1.0 2.0
   49    43    48    52   1.00000 -1.0 2.0
   45    51    50    55  15.00000 -1.0 2.0
   59    56    55    50  15.00000 -1.0 2.0
   55    60    59    69  15.00000 -1.0 2.0
   71    70    69    59  15.00000 -1.0 2.0
END
