* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    163    261     482
    1     0 S   NP   _N1_     1    28.75726    92.96289   -23.66917
    2     1 S   H    _HN1     2     1.02840    17.31766   117.95291
    3     1 S   H    _H1_     3     1.02779    97.85735  -115.33205
    4     1 S   H    _H2_     4     1.02961    97.86676    -5.49016
    5     1 S   CT   _CA1     5     1.50116   128.06019   118.26037
    6     5 S   HC   _HA1     6     1.09568   105.26232    59.16151
    7     5 S   CO3  _C1_     7     1.53810   112.32081   -61.14687
    8     7 S   O2Z  _O11     8     1.26368   115.01332   -44.68207
    9     7 S   O2Z  _O12     9     1.26224   114.93922   134.49229
   10     5 S   CT   _CB1    10     1.53078   107.43600   177.15820
   11    10 S   HC   HB11    11     1.09829   109.50485   -50.01982
   12    10 S   HC   HB12    12     1.09787   110.32701    66.48964
   13    10 S   CT   _CG1    13     1.53016   112.66150  -171.02123
   14    13 S   HC   HG11    14     1.09590   110.55855   -61.51035
   15    13 S   HC   HG12    15     1.09640   109.93783    57.75579
   16    13 S   C    _CD1    16     1.51770   112.21776   178.36721
   17    16 S   O    _OE1    17     1.22755   123.23775     1.53008
   18    16 S   N    _N2_    18     1.38560   111.76312  -179.24567
   19    18 S   H    _HN2    19     1.01578   119.15387     5.73046
   20    18 S   CT1  _CA2    20     1.45692   122.89219  -179.67857
   21    20 S   HC   _HA2    21     1.09558   108.99980    15.20472
   22    20 S   C    _C2_    22     1.52820   107.52068  -101.10447
   23    22 S   O    _O2_    23     1.22932   123.11494   -25.75336
   24    20 S   CT   _CB2    32     1.53198   112.28459   138.29756
   25    24 S   HC   HB21    33     1.09663   109.78704    64.60153
   26    24 S   HC   HB22    34     1.09559   110.78136  -178.38942
   27    22 S   N    _N3_    24     1.38490   112.33347   156.78397
   28    27 S   H    _HN3    25     1.01642   120.32059    -1.67935
   29    24 S   S    _SG2    35     1.83028   114.71658   -55.13751
   30    27 S   CT   _CA3    26     1.45330   122.69592   178.84360
   31    30 S   HC   HA31    27     1.09558   107.69912   -58.84306
   32    30 S   HC   HA32    28     1.09556   107.77257    57.56423
   33    29 S   CT   _C22    36     1.84098   100.46007   -57.55014
   34    33 S   HC   _H3_    37     1.09442   106.99013    61.70945
   35    30 S   CO3  _C3_    29     1.52932   114.10933   179.35563
   36    35 S   O2Z  _O31    30     1.26372   115.99821    -1.38451
   37    35 S   O2Z  _O32    31     1.26420   114.44302   178.61718
   38    33 S   CT   _C19    38     1.54277   110.37550  -179.23972
   39    38 S   HC   _H42    39     1.09865   109.20842    56.30985
   40    38 S   CT   _C20    40     1.55580   110.73481   175.03414
   41    40 S   HC   _H43    41     1.09720   106.44871    66.22996
   42    38 S   CO4  _C14    81     1.52493   110.73696   -61.71207
   43    42 S   O    _O24    82     1.22524   123.22961   120.46619
   44    40 S   CT   _C18    42     1.55420   110.75149   -49.52376
   45    44 S   HC   _H41    43     1.09797   107.63576   166.64237
   46    40 S   CT   _C24    54     1.55478   111.47139  -177.34303
   47    46 S   HC   _H49    55     1.09817   108.66959    61.26550
   48    46 S   HC   _H50    56     1.09687   108.24882   -53.16441
   49    42 S   OS   _O27    83     1.36316   111.10071   -60.04130
   50    44 S   CO   _C21    44     1.53957   110.36219    50.18603
   51    50 S   HC   _H44    45     1.09664   109.61606  -173.39075
   52    44 S   CM   _C13    49     1.51442   113.30452   -72.86029
   53    52 S   HC   _H35    50     1.08751   117.84877    60.19783
   54    46 S   CT   _C17    57     1.54677   115.84475  -175.41029
   55    54 S   HC   _H40    58     1.09426   109.73445   -53.43004
   56    49 S   CT   _C23    84     1.43031   115.44744  -179.43007
   57    56 S   HC   _H46    85     1.09293   108.00965   174.65456
   58    56 S   HC   _H47    86     1.09430   110.58828    56.03301
   59    56 S   HC   _H48    87     1.09393   110.00252   -66.67240
   60    33 S   OS   _O25    46     1.42639   109.44711   -56.41496
   61    50 S   OH   _O26    47     1.42547   109.55625    69.48255
   62    61 S   HO   _H53    48     0.97255   106.80165   155.39647
   63    52 S   CM   _C12    51     1.33842   124.02017  -120.46699
   64    63 S   HC   _H33    52     1.08481   120.45270  -179.74512
   65    63 S   HC   _H34    53     1.08443   121.68670     0.30067
   66    54 S   C5A  _C11    59     1.49721   112.81487    68.54666
   67    66 S   C5B  _C9_    60     1.37944   125.72561   103.99271
   68    66 S   NA   _N22    71     1.36647   126.11534   -77.49881
   69    68 S   H    _H51    72     1.01079   125.56159     0.14402
   70    67 S   C56B _C8_    61     1.42107   107.73404  -179.14088
   71    67 S   CT   _C15    73     1.48843   121.33822     2.38909
   72    71 S   HC   _H36    74     1.09698   108.59377   106.50165
   73    71 S   HC   _H37    75     1.09549   110.64778  -135.47840
   74    70 S   CA   _C6_    62     1.40915   134.47133   179.49063
   75    74 S   HA   _H31    63     1.08615   120.73208    -0.28046
   76    71 S   CT   _C16    76     1.54345   110.81610   -13.62208
   77    76 S   HC   _H38    77     1.09603   108.93538   163.22192
   78    76 S   HC   _H39    78     1.09621   110.02743   -81.16753
   79    74 S   CA   _C4_    64     1.39955   119.26860   179.90935
   80    79 S   HA   _H29    65     1.08687   119.52040   179.82754
   81    54 S   NT   _N23    79     1.49032   109.47377  -169.62711
   82    81 S   H    _H52    80     1.02096   108.00391   162.93355
   83    79 S   CA   _C5_    66     1.39331   120.76867    -0.20367
   84    83 S   HA   _H30    67     1.08716   119.55610  -179.94405
   85    83 S   CA   _C7_    68     1.39776   121.04392    -0.11364
   86    85 S   HA   _H32    69     1.08495   120.93971  -179.73756
   87    70 S   C56A _C10    70     1.39870   106.81280    -1.02507
  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   8   5   4   3
  14   6   2   1   1  16   8  20   9   9   2  15   8  12   5   4
   4   7   4   6   3  13   6   3   2   1   1   2   1   1   2   1
   1  13  15   9   3  12   9   5   4   7   4   4   3   2   6   3
   1   1   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    60    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    60    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    50    51    60    61    46    42    43    49  
   38    39    40    50    60    42  
   36    37  
   37  
    0  
   39    40    41    44    45    50    60    52    46    47    48    54    42    43    49    56  
   40    41    44    60    46    42    43    49  
   41    44    45    50    51    60    61    52    53    63    46    47    48    54    55    66    81    42    43    49  
   44    45    50    52    46    47    48    54    42  
   43    49    56    57    58    59    44    46    60  
   49    56  
   45    50    51    60    61    62    52    53    63    64    65    46    47    48    54  
   50    51    60    61    52    53    63    46  
   47    48    54    55    66    67    68    76    81    82    50    52  
   48    54    55    66    81  
   54    55    66    81  
   56    57    58    59  
   51    60    61    62    52    53    63  
   60    61    62    52  
   53    63    64    65    60    61  
   63    64    65  
   55    66    67    70    87    68    69    71    76    77    78    81    82  
   66    67    68    76    81    82  
   57    58    59  
   58    59  
   59  
    0  
   61    62  
   62  
    0  
   64    65  
   65  
    0  
   67    70    74    85    87    68    69    71    72    73    76    81    82  
   70    74    75    79    85    87    68    69    71    72    73    76    77    78    81  
   69    71    81    70    74    83    85    86    87  
   70    85    87  
   74    75    79    80    83    85    86    87    71    72    73    76  
   72    73    76    77    78    81    82    74    87  
   73    76    77    78    81  
   76    77    78    81  
   75    79    80    83    84    85    87  
   79    80    83    87  
   77    78    81    82  
   78    81    82  
   81    82  
   80    83    84    85    86    87  
   83    84    85  
   82  
    0  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.255000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   61   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   68   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   69   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   76   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   81   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   82   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   85   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   87   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
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    60   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   317.000  1.522
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   268.000  1.529
   44    45   340.000  1.090
   44    50   250.000  1.527
   44    52   317.000  1.510
   50    51   340.000  1.090
   50    60   320.000  1.380
   50    61   380.000  1.407
   61    62   553.000  0.945
   52    53   340.000  1.080
   52    63   549.000  1.340
   63    64   340.000  1.080
   63    65   340.000  1.080
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    54   268.000  1.529
   54    55   340.000  1.090
   54    66   295.000  1.489
   54    81   382.000  1.448
   66    67   520.000  1.370
   66    68   427.000  1.381
   67    70   380.000  1.440
   67    71   295.000  1.494
   70    74   469.000  1.404
   70    87   447.000  1.419
   74    75   367.000  1.080
   74    79   469.000  1.400
   79    80   367.000  1.080
   79    83   469.000  1.400
   83    84   367.000  1.080
   83    85   469.000  1.400
   85    86   367.000  1.080
   85    87   469.000  1.400
   87    68   428.000  1.380
   68    69   434.000  1.010
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    81   382.000  1.448
   81    82   434.000  1.010
   42    43   570.000  1.229
   42    49   214.000  1.327
   49    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   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    60    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    63.00000  111.10000
   33    60    50    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    58.35000  112.70000
   38    42    43    80.00000  120.40000
   38    42    49    81.00000  111.40000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    50    75.00000  109.43000
   40    44    52    70.00000  112.02700
   40    46    47    37.50000  110.70000
   40    46    48    37.50000  110.70000
   40    46    54    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    50    51    45.00000  112.01100
   44    50    60    90.00000  108.56700
   44    50    61    90.00000  110.19100
   44    52    53    35.00000  117.00000
   44    52    63    70.00000  124.00000
   50    44    45    45.00000  108.72000
   50    61    62    70.00000  107.92000
   60    33    34    35.00000  109.50000
   60    33    38    50.00000  109.50000
   60    50    51    35.00000  109.50000
   61    50    51    60.00000  108.02500
   61    50    60   110.00000  112.08000
   52    44    45    35.00000  109.50000
   52    44    50    70.00000  112.02700
   52    63    64    35.00000  120.00000
   52    63    65    35.00000  120.00000
   63    52    53    35.00000  120.00000
   65    63    64    35.00000  117.00000
   46    40    41    37.50000  110.70000
   46    40    44    58.35000  112.70000
   46    54    55    37.50000  110.70000
   46    54    66    70.00000  113.44400
   46    54    81    56.20000  109.47000
   48    46    47    33.00000  107.80000
   54    46    47    37.50000  110.70000
   54    46    48    37.50000  110.70000
   54    66    67    55.00000  130.44200
   54    66    68    65.00000  122.56900
   54    81    76    51.80000  107.20000
   54    81    82    35.00000  109.50000
   66    54    55    45.00000  110.47400
   66    67    70    80.00000  105.82900
   66    67    71    55.00000  127.77900
   66    68    87    90.00000  107.14200
   66    68    69    35.00000  120.00000
   67    70    74    50.00000  134.85500
   67    70    87    80.00000  107.43600
   67    71    72    45.00000  111.11700
   67    71    73    45.00000  111.11700
   67    71    76    70.00000  112.62400
   70    74    75    35.00000  120.00000
   70    74    79    63.00000  120.00000
   70    87    85    85.00000  122.70000
   70    87    68    70.00000  104.40000
   74    79    80    35.00000  120.00000
   74    79    83    63.00000  120.00000
   79    74    75    35.00000  120.00000
   79    83    84    35.00000  120.00000
   79    83    85    63.00000  120.00000
   83    79    80    35.00000  120.00000
   83    85    86    35.00000  120.00000
   83    85    87    85.00000  120.00000
   85    83    84    35.00000  120.00000
   85    87    68    70.00000  132.80000
   87    70    74    85.00000  116.20000
   87    85    86    35.00000  120.00000
   87    68    69    35.00000  123.10000
   68    66    67    70.00000  106.30000
   71    67    70    55.00000  128.73000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    81    56.20000  109.47000
   73    71    72    33.00000  107.80000
   76    71    72    37.50000  110.70000
   76    71    73    37.50000  110.70000
   76    81    82    35.00000  109.50000
   78    76    77    33.00000  107.80000
   81    54    55    35.00000  109.50000
   81    54    66    75.00000  112.58000
   81    76    77    35.00000  109.50000
   81    76    78    35.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    63.00000  111.10000
   42    49    56    83.00000  116.90000
   49    42    43    83.00000  123.40000
   49    56    57    35.00000  109.50000
   49    56    58    35.00000  109.50000
   49    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    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    60   0.13850  1.0 1.0
   24    29    33    60  -1.34450 -1.0 2.0
   24    29    33    60   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    60    50   0.14700  1.0 1.0
   29    33    60    50  -1.16150 -1.0 2.0
   29    33    60    50   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.56750  1.0 1.0
   33    38    40    46  -0.07550 -1.0 2.0
   33    38    40    46   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    49   0.36750  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    42  -0.11250  1.0 3.0
   34    33    60    50   0.37050  1.0 3.0
   38    33    60    50   0.06250  1.0 1.0
   38    33    60    50  -0.01100 -1.0 2.0
   38    33    60    50   0.28050  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    50   3.97050  1.0 1.0
   38    40    44    52   0.34400  1.0 1.0
   38    40    44    52   0.09450 -1.0 2.0
   38    40    44    52   0.11100  1.0 3.0
   38    40    46    47   0.15000  1.0 3.0
   38    40    46    48   0.15000  1.0 3.0
   38    40    46    54   0.56750  1.0 1.0
   38    40    46    54  -0.07550 -1.0 2.0
   38    40    46    54   0.20000  1.0 3.0
   38    42    49    56   1.63150  1.0 1.0
   38    42    49    56   2.92000 -1.0 2.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.15000  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    49   0.00000  1.0 1.0
   40    38    42    43   0.30150 -1.0 2.0
   40    38    42    49   0.36750  1.0 3.0
   40    44    50    51   0.15000  1.0 3.0
   40    44    50    60   0.62750  1.0 1.0
   40    44    50    60  -0.30950 -1.0 2.0
   40    44    50    60   0.27300  1.0 3.0
   40    44    50    61   0.86500  1.0 1.0
   40    44    50    61  -0.17500 -1.0 2.0
   40    44    50    61   0.20800  1.0 3.0
   40    44    52    53   0.00000  1.0 1.0
   40    44    52    63   0.09850  1.0 1.0
   40    44    52    63   0.15250 -1.0 2.0
   40    44    52    63  -0.50650  1.0 3.0
   40    46    54    55   0.15000  1.0 3.0
   40    46    54    66  -0.03700  1.0 1.0
   40    46    54    66   0.37200 -1.0 2.0
   40    46    54    66  -0.47300  1.0 3.0
   40    46    54    81   1.53400  1.0 1.0
   40    46    54    81  -0.09950 -1.0 2.0
   40    46    54    81   0.05700  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    50   0.15000  1.0 3.0
   41    40    44    52   0.15000  1.0 3.0
   41    40    46    47   0.15000  1.0 3.0
   41    40    46    48   0.15000  1.0 3.0
   41    40    46    54   0.15000  1.0 3.0
   44    40    46    47   0.15000  1.0 3.0
   44    40    46    48   0.15000  1.0 3.0
   44    40    46    54   0.56750  1.0 1.0
   44    40    46    54  -0.07550 -1.0 2.0
   44    40    46    54   0.20000  1.0 3.0
   44    50   -60    33   0.06250  1.0 1.0
   44    50   -60    33  -0.01100 -1.0 2.0
   44    50   -60    33   0.28050  1.0 3.0
   44    50    61    62  -0.11600  1.0 1.0
   44    50    61    62  -0.09450 -1.0 2.0
   44    50    61    62   0.21250  1.0 3.0
   44    52    63    64   7.00000 -1.0 2.0
   44    52    63    65   7.00000 -1.0 2.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    60   0.23400  1.0 3.0
   45    44    50    61   0.23400  1.0 3.0
   45    44    52    53   0.33100  1.0 3.0
   45    44    52    63   0.00000  1.0 1.0
   50    44    52    53   0.00000  1.0 1.0
   50    44    52    63   0.09850  1.0 1.0
   50    44    52    63   0.15250 -1.0 2.0
   50    44    52    63  -0.50650  1.0 3.0
   51    50    60    33   0.37050  1.0 3.0
   51    50    61    62   0.19450  1.0 3.0
   60    33    38    39   0.23400  1.0 3.0
   60    33   -38    40   0.62750  1.0 1.0
   60    33   -38    40  -0.30950 -1.0 2.0
   60    33   -38    40   0.27300  1.0 3.0
   60    33    38    42  -0.09450  1.0 1.0
   60    33    38    42  -1.12950 -1.0 2.0
   60    33    38    42   0.54000  1.0 3.0
   60    50    61    62  -0.50000  1.0 1.0
   60    50    61    62  -0.73950 -1.0 2.0
   60    50    61    62   0.17150  1.0 3.0
   61    50    60    33  -0.81800  1.0 1.0
   52    44    50    51   0.15000  1.0 3.0
   52    44    50    60   0.61850  1.0 1.0
   52    44    50    60  -0.22750 -1.0 2.0
   52    44    50    60   0.15300  1.0 3.0
   52    44    50    61   1.05650  1.0 1.0
   52    44    50    61   0.15600 -1.0 2.0
   52    44    50    61   0.53150  1.0 3.0
   53    52    63    64   7.00000 -1.0 2.0
   53    52    63    65   7.00000 -1.0 2.0
   46    40    44    45   0.15000  1.0 3.0
   46    40    44    50   3.97050  1.0 1.0
   46    40    44    52   0.34400  1.0 1.0
   46    40    44    52   0.09450 -1.0 2.0
   46    40    44    52   0.11100  1.0 3.0
   46    54    66    67   0.04150 -1.0 2.0
   46    54    66    68   0.39850  1.0 1.0
   46    54    66    68   0.06450 -1.0 2.0
   46    54    66    68   0.32400  1.0 3.0
   46    54    81    76   0.23450  1.0 1.0
   46    54    81    76   0.02050 -1.0 2.0
   46    54    81    76   0.25250  1.0 3.0
   46    54    81    82  -0.05950  1.0 1.0
   46    54    81    82   0.08850 -1.0 2.0
   46    54    81    82   0.11750  1.0 3.0
   47    46    54    55   0.15000  1.0 3.0
   47    46    54    66   0.43200  1.0 3.0
   47    46    54    81   0.15000  1.0 3.0
   48    46    54    55   0.15000  1.0 3.0
   48    46    54    66   0.43200  1.0 3.0
   48    46    54    81   0.15000  1.0 3.0
   54    66    67    70   3.62500 -1.0 2.0
   54    66    67    71   3.62500 -1.0 2.0
   54    66    68    87   3.62500 -1.0 2.0
   54    66    68    69   2.00000 -1.0 2.0
   55    54    66    67   0.00000  1.0 1.0
   55    54    66    68   0.00000  1.0 1.0
   55    54    81    76   0.28000  1.0 3.0
   55    54    81    82   0.20000  1.0 3.0
   66    54    81    76   0.82600  1.0 1.0
   66    54    81    76  -0.32100 -1.0 2.0
   66    54    81    76   1.02000  1.0 3.0
   66    54    81    82   0.76500  1.0 1.0
   66    54    81    82   0.05700 -1.0 2.0
   66    54    81    82  -0.90900  1.0 3.0
   66    67    70    74   3.62500 -1.0 2.0
   66    67   -70    87   3.50000 -1.0 2.0
   66    67    71    72   0.00000  1.0 1.0
   66    67    71    73   0.00000  1.0 1.0
   66    67   -71    76   0.04150 -1.0 2.0
   67    66   -68    87   3.62500 -1.0 2.0
   67    66    68    69   1.40000 -1.0 2.0
   67    70    74    75   3.62500 -1.0 2.0
   67    70    74    79   3.62500 -1.0 2.0
   67    70    87    85   3.00000 -1.0 2.0
   67    70   -87    68   3.00000 -1.0 2.0
   67    71    76    77   0.43200  1.0 3.0
   67    71    76    78   0.43200  1.0 3.0
   67    71    76    81   0.83750  1.0 1.0
   67    71    76    81   0.32200 -1.0 2.0
   67    71    76    81   0.70600  1.0 3.0
   70    67    71    72   0.00000  1.0 1.0
   70    67    71    73   0.00000  1.0 1.0
   70    67    71    76   0.04150 -1.0 2.0
   70    74    79    80   3.62500 -1.0 2.0
   70    74    79    83   3.62500 -1.0 2.0
   70    87   -68    66   3.62500 -1.0 2.0
   70    87    68    69   1.52500 -1.0 2.0
   74    70    87    85   3.00000 -1.0 2.0
   74    70    87    68   3.00000 -1.0 2.0
   74    79    83    84   3.62500 -1.0 2.0
   74    79   -83    85   3.62500 -1.0 2.0
   75    74    79    80   3.62500 -1.0 2.0
   75    74    79    83   3.62500 -1.0 2.0
   79    83    85    86   3.62500 -1.0 2.0
   79    83    85    87   3.62500 -1.0 2.0
   80    79    83    84   3.62500 -1.0 2.0
   80    79    83    85   3.62500 -1.0 2.0
   83    85   -87    70   3.62500 -1.0 2.0
   83    85    87    68   3.62500 -1.0 2.0
   84    83    85    86   3.62500 -1.0 2.0
   84    83    85    87   3.62500 -1.0 2.0
   85    87    68    66   3.62500 -1.0 2.0
   85    87    68    69   1.52500 -1.0 2.0
   86    85    87    70   3.62500 -1.0 2.0
   86    85    87    68   3.62500 -1.0 2.0
   87    70    74    75   3.50000 -1.0 2.0
   87    70   -74    79   3.50000 -1.0 2.0
   68    66   -67    70   3.62500 -1.0 2.0
   68    66    67    71   3.62500 -1.0 2.0
   71    67    70    74   3.62500 -1.0 2.0
   71    67    70    87   3.62500 -1.0 2.0
   71    76   -81    54   0.23450  1.0 1.0
   71    76   -81    54   0.02050 -1.0 2.0
   71    76   -81    54   0.25250  1.0 3.0
   71    76    81    82  -0.15950  1.0 1.0
   71    76    81    82   0.34650 -1.0 2.0
   71    76    81    82   0.05750  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    81   0.15000  1.0 3.0
   73    71    76    77   0.15000  1.0 3.0
   73    71    76    78   0.15000  1.0 3.0
   73    71    76    81   0.15000  1.0 3.0
   77    76    81    54   0.28000  1.0 3.0
   77    76    81    82   0.20000  1.0 3.0
   78    76    81    54   0.28000  1.0 3.0
   78    76    81    82   0.20000  1.0 3.0
   81    54   -66    67   0.18550 -1.0 2.0
   81    54   -66    67   0.14000  1.0 3.0
   81    54    66    68   0.04300 -1.0 2.0
   42    38    40    41  -0.11250  1.0 3.0
   42    38    40    44  -0.95700  1.0 1.0
   42    38    40    44  -0.18200 -1.0 2.0
   42    38    40    44   0.29450  1.0 3.0
   42    38    40    46  -0.95700  1.0 1.0
   42    38    40    46  -0.18200 -1.0 2.0
   42    38    40    46   0.29450  1.0 3.0
   42    49    56    57   0.08050  1.0 3.0
   42    49    56    58   0.08050  1.0 3.0
   42    49    56    59   0.08050  1.0 3.0
   43    42    49    56   3.00000 -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
   37    30    35    36  10.50000 -1.0 2.0
   44    53    52    63  15.00000 -1.0 2.0
   64    65    63    52  15.00000 -1.0 2.0
   67    68    66    54   4.00000 -1.0 2.0
   70    71    67    66   4.00000 -1.0 2.0
   74    87    70    67   4.00000 -1.0 2.0
   79    75    74    70   1.10000 -1.0 2.0
   83    80    79    74   1.10000 -1.0 2.0
   85    84    83    79   1.10000 -1.0 2.0
   87    86    85    83   1.10000 -1.0 2.0
   85    68    87    70   4.00000 -1.0 2.0
   69    66    68    87   1.00000 -1.0 2.0
   38    49    42    43  10.50000 -1.0 2.0
END
