* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    161    250     477
    1     0 S   NP   _N1_     1    28.80902    96.08027   -22.36352
    2     1 S   H    _HN1     2     1.02780    95.75736   -88.23091
    3     1 S   H    _H1_     3     1.02953    78.47685    19.37941
    4     1 S   H    _H2_     4     1.02830    37.04457   159.50522
    5     1 S   CT   _CA1     5     1.50141   144.76042   128.48381
    6     5 S   HC   _HA1     6     1.09569   105.19757    78.62085
    7     5 S   CO3  _C1_     7     1.53805   112.37146   -41.58787
    8     7 S   O2Z  _O11     8     1.26380   115.00036   -42.25968
    9     7 S   O2Z  _O12     9     1.26230   114.96057   136.74745
   10     5 S   CT   _CB1    10     1.53072   107.39748  -163.38821
   11    10 S   HC   HB11    11     1.09825   109.41634   -49.02392
   12    10 S   HC   HB12    12     1.09821   110.40344    67.59518
   13    10 S   CT   _CG1    13     1.52983   112.65001  -170.04130
   14    13 S   HC   HG11    14     1.09587   110.47086   -63.55050
   15    13 S   HC   HG12    15     1.09654   109.97935    55.67454
   16    13 S   C    _CD1    16     1.51826   112.25702   176.00149
   17    16 S   O    _OE1    17     1.22728   123.28557    -1.30731
   18    16 S   N    _N2_    18     1.38616   111.61410   178.75040
   19    18 S   H    _HN2    19     1.01582   118.96519     1.95144
   20    18 S   CT1  _CA2    20     1.46319   123.46227  -178.91357
   21    20 S   HC   _HA2    21     1.09731   109.39232    -5.75653
   22    20 S   C    _C2_    22     1.53374   108.59004  -121.42205
   23    22 S   O    _O2_    23     1.23039   122.36764  -148.35875
   24    20 S   CT   _CB2    32     1.53380   111.15416   116.17803
   25    24 S   HC   HB21    33     1.09561   109.50000    56.74419
   26    24 S   HC   HB22    34     1.09492   110.84693   175.51620
   27    22 S   N    _N3_    24     1.38365   113.52061    39.17088
   28    27 S   H    _HN3    25     1.01635   119.46278    -3.71910
   29    24 S   S    _SG2    35     1.82764   110.98899   -64.86524
   30    27 S   CT   _CA3    26     1.45287   123.14958   176.92050
   31    30 S   HC   HA31    27     1.09552   107.52902   -63.68393
   32    30 S   HC   HA32    28     1.09558   107.94092    52.72048
   33    29 S   CT   _C21    36     1.83589   100.16524   148.72655
   34    33 S   HC   _H3_    37     1.09545   105.27563   -43.19743
   35    30 S   CO3  _C3_    29     1.52938   114.13982   174.69552
   36    35 S   O2Z  _O31    30     1.26367   116.05875    -0.95450
   37    35 S   O2Z  _O32    31     1.26430   114.41200   179.11045
   38    33 S   CM   _C4_    38     1.53970   111.05821  -159.49459
   39    33 S   CT   _C20    82     1.52995   111.48193    71.69193
   40    39 S   HC   _H46    83     1.09435   113.02523    54.72804
   41    39 S   HC   _H47    84     1.09587   110.87710   -65.82350
   42    39 S   HC   _H48    85     1.09600   110.56182   175.69529
   43    38 S   CMA  _C5_    39     1.37074   125.28785   -69.89516
   44    43 S   OM   _O20    40     1.26893   125.54327     3.92286
   45    38 S   CT   _C9_    66     1.53221   113.27184   113.97553
   46    45 S   HC   _H29    67     1.09709   110.64130    16.00330
   47    45 S   HC   _H30    68     1.09733   107.11488   128.39365
   48    43 S   OS   _O22    41     1.42492   111.89430  -179.17055
   49    48 S   CT   _C16    42     1.42271   115.06926   134.99709
   50    49 S   HC   _H41    43     1.09946   112.15868    29.58929
   51    49 S   CT   _C10    44     1.51889   112.66998   -92.47392
   52    51 S   HC   _H31    45     1.09535   111.29228    86.44385
   53    51 S   HC   _H32    46     1.09463   111.31005   -32.40170
   54    51 S   CT   _C11    47     1.52582   104.58871  -152.61843
   55    54 S   HC   _H33    48     1.09558   109.83240   139.13846
   56    54 S   HC   _H34    49     1.09565   109.98917  -103.24472
   57    54 S   NTH0 _N19    50     1.46855   107.10044    14.38894
   58    57 S   CT   _C12    51     1.46987   114.77589   128.76037
   59    58 S   HC   _H35    52     1.09455   109.80872   110.36237
   60    58 S   HC   _H36    53     1.09595   112.02766    -9.99163
   61    58 S   CT   _C17    54     1.52927   105.58515  -128.54977
   62    61 S   HC   _H42    55     1.09453   112.25247   152.86798
   63    61 S   CT   _C14    56     1.53521   103.76498    30.15936
   64    63 S   HC   _H39    57     1.09721   111.28220  -154.48542
   65    61 S   OH   _O24    80     1.42629   110.35902   -87.17245
   66    65 S   HO   _H50    81     0.97226   107.53000   -60.91128
   67    63 S   CT   _C13    58     1.53462   109.14267    84.69602
   68    67 S   HC   _H37    59     1.09334   112.15189   -73.06839
   69    67 S   HC   _H38    60     1.09676   109.48030    46.35045
   70    49 S   CT   _C15    78     1.52335   113.05821   150.21174
   71    70 S   HC   _H40    79     1.09980   106.99455   -88.99746
   72    67 S   OS   _O23    61     1.43360   109.90213   162.68015
   73    72 S   CO4  _C7_    62     1.36539   115.86010   166.18614
   74    73 S   O    _O21    63     1.22649   125.30916    -0.63827
   75    73 S   CT   _C18    64     1.53458   111.16116   177.73696
   76    75 S   CM   _C6_    65     1.52926   110.24812    45.74539
   77    75 S   CT   _C19    72     1.53475   107.33577   -82.35759
   78    77 S   HC   _H43    73     1.09714   110.73346   -57.45707
   79    77 S   HC   _H44    74     1.09568   111.07054  -175.17063
   80    77 S   HC   _H45    75     1.09540   112.30749    62.32727
   81    75 S   OH   _O25    76     1.43058   107.81896   162.80455
   82    81 S   HO   _H51    77     0.97284   107.93305    58.16700
   83    76 S   CM   _C8_    69     1.34607   122.36897  -115.81878
   84    83 S   HC   _H27    70     1.08377   122.54888    -0.33688
   85    83 S   HC   _H28    71     1.08208   122.39455   179.30002
  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  14   5   2   1   1  10   3  11   4   3  10
  15   8  10   6   5  10   4   3  11  11   6   5  11   6  10   7
   3   1   8   4   3   2   1   6  10   4  10   9   6   3   2   1
   2   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    48    76    45    46    47    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    48    49    75    76    45    46    47    83    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    48    49    50    51    76    45    46    47    70  
   48    49    45  
   46    47    83    84    85    77    81    48    73    75    76  
   47    83    75    76  
   83    75    76  
   49    50    51    52    53    54    57    63    70    71  
   50    51    52    53    54    55    56    57    58    61    63    64    67    70    71  
   51    52    53    54    57    63    70    71  
   52    53    54    55    56    57    58    63    70    71  
   53    54    55    56    57    70  
   54    55    56    57    70  
   55    56    57    58    59    60    61    63    70    71  
   56    57    58    70  
   57    58    70  
   58    59    60    61    62    63    64    67    70    71    65  
   59    60    61    62    63    64    67    70    71    65    66  
   60    61    62    63    70    65  
   61    62    63    70    65  
   62    63    64    67    68    69    72    70    71    65    66  
   63    64    67    70    65    66  
   64    67    68    69    72    73    70    71    65    66  
   67    68    69    72    70    71    65  
   66    67    70  
    0  
   68    69    72    73    74    75    70    71  
   69    72    73    70  
   72    73    70  
   71    72  
    0  
   73    74    75    76    77    81  
   74    75    76    83    77    78    79    80    81    82  
   75    76    77    81  
   76    83    84    85    77    78    79    80    81    82  
   83    84    85    77    78    79    80    81    82  
   78    79    80    81    82    83  
   79    80    81  
   80    81  
   81  
   82    83  
    0  
   84    85  
   85  
    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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.460100   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   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   58   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   2.4200   0.0300   0.115000   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    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    48   440.000  1.360
   48    49   320.000  1.410
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    70   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   310.000  1.447
   57    58   310.000  1.447
   57    70   310.000  1.447
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    65   320.000  1.410
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    70   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   320.000  1.410
   72    73   214.000  1.327
   73    74   570.000  1.229
   73    75   317.000  1.522
   75    76   317.000  1.510
   75    77   268.000  1.529
   75    81   320.000  1.410
   76    45   317.000  1.510
   76    83   549.000  1.340
   45    46   340.000  1.090
   45    47   340.000  1.090
   83    84   340.000  1.080
   83    85   340.000  1.080
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   553.000  0.945
   70    71   340.000  1.090
   65    66   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    48    80.00000  120.01400
   38    45    76    70.00000  110.12100
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   43    48    49    90.00000  111.18400
   48    43    44    65.00000  121.00000
   48    49    50    35.00000  109.50000
   48    49    51    50.00000  109.50000
   48    49    70    50.00000  109.50000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    54    58.35000  112.70000
   49    70    57    75.00000  113.73300
   49    70    63    58.35000  112.70000
   49    70    71    37.50000  110.70000
   51    49    50    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    75.00000  113.73300
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    57    58    80.00000  110.40700
   54    57    70    80.00000  110.40700
   56    54    55    33.00000  107.80000
   57    54    55    50.00000  110.15500
   57    54    56    50.00000  110.15500
   57    58    59    50.00000  110.15500
   57    58    60    50.00000  110.15500
   57    58    61    75.00000  113.73300
   57    70    63    75.00000  113.73300
   57    70    71    50.00000  110.15500
   58    61    62    37.50000  110.70000
   58    61    63    58.35000  112.70000
   58    61    65    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    67    58.35000  112.70000
   61    63    70    58.35000  112.70000
   61    65    66    55.00000  108.50000
   63    61    62    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    72    50.00000  109.50000
   63    70    71    37.50000  110.70000
   67    63    64    37.50000  110.70000
   67    72    73    83.00000  116.90000
   69    67    68    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    35.00000  109.50000
   72    73    74    83.00000  123.40000
   72    73    75    81.00000  111.40000
   73    75    76    70.00000  109.06800
   73    75    77    63.00000  111.10000
   73    75    81    90.00000  109.61100
   75    73    74    80.00000  120.40000
   75    76    45    65.00000  117.92700
   75    76    83    70.00000  124.00000
   75    77    78    37.50000  110.70000
   75    77    79    37.50000  110.70000
   75    77    80    37.50000  110.70000
   75    81    82    55.00000  108.50000
   76    45    46    35.00000  109.50000
   76    45    47    35.00000  109.50000
   76    83    84    35.00000  120.00000
   76    83    85    35.00000  120.00000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   83    76    45    70.00000  124.00000
   85    83    84    35.00000  117.00000
   77    75    76    70.00000  112.02700
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    75    76    90.00000  110.39200
   81    75    77    50.00000  109.50000
   70    49    50    37.50000  110.70000
   70    49    51    58.35000  112.70000
   70    57    58    80.00000  110.40700
   70    63    64    37.50000  110.70000
   70    63    67    58.35000  112.70000
   65    61    62    35.00000  109.50000
   65    61    63    50.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    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    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  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    38    45    76   0.09700  1.0 1.0
   33    38    45    76   0.15600 -1.0 2.0
   33    38    45    76  -0.50800  1.0 3.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    48    49  -2.26850  1.0 1.0
   38    43    48    49   3.39050 -1.0 2.0
   43    38    45    76  -0.28300  1.0 1.0
   43    38    45    76   0.26700 -1.0 2.0
   43    38    45    76  -0.63300  1.0 3.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    48    49    50   0.08050  1.0 3.0
   43    48    49    51  -0.46850  1.0 1.0
   43    48    49    51   0.09300 -1.0 2.0
   43    48    49    51  -0.12850  1.0 3.0
   43    48    49    70  -0.46850  1.0 1.0
   43    48    49    70   0.09300 -1.0 2.0
   43    48    49    70  -0.12850  1.0 3.0
   44    43    48    49   2.00000 -1.0 2.0
   48    49    51    52   0.23400  1.0 3.0
   48    49    51    53   0.23400  1.0 3.0
   48    49    51    54   0.62750  1.0 1.0
   48    49    51    54  -0.30950 -1.0 2.0
   48    49    51    54   0.27300  1.0 3.0
   48    49    70    57   0.63850  1.0 1.0
   48    49    70    57   0.02700 -1.0 2.0
   48    49    70    63   0.62750  1.0 1.0
   48    49    70    63  -0.30950 -1.0 2.0
   48    49    70    63   0.27300  1.0 3.0
   48    49    70    71   0.23400  1.0 3.0
   49    51    54    55   0.15000  1.0 3.0
   49    51    54    56   0.15000  1.0 3.0
   49    51   -54    57   1.53400  1.0 1.0
   49    51   -54    57  -0.09950 -1.0 2.0
   49    51   -54    57   0.05700  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    54   0.15000  1.0 3.0
   50    49    70    57   0.15000  1.0 3.0
   50    49    70    63   0.15000  1.0 3.0
   50    49    70    71   0.15000  1.0 3.0
   51    49   -70    57   1.53400  1.0 1.0
   51    49   -70    57  -0.09950 -1.0 2.0
   51    49   -70    57   0.05700  1.0 3.0
   51    49    70    63   0.56750  1.0 1.0
   51    49    70    63  -0.07550 -1.0 2.0
   51    49    70    63   0.20000  1.0 3.0
   51    49    70    71   0.15000  1.0 3.0
   51    54    57    58   1.99000  1.0 1.0
   51    54    57    58   0.18800 -1.0 2.0
   51    54    57    58   0.81350  1.0 3.0
   51    54   -57    70   1.99000  1.0 1.0
   51    54   -57    70   0.18800 -1.0 2.0
   51    54   -57    70   0.81350  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    56   0.15000  1.0 3.0
   53    51    54    57   0.15000  1.0 3.0
   54    57    58    59   0.28000  1.0 3.0
   54    57    58    60   0.28000  1.0 3.0
   54    57    58    61   1.99000  1.0 1.0
   54    57    58    61   0.18800 -1.0 2.0
   54    57    58    61   0.81350  1.0 3.0
   54    57   -70    49   1.99000  1.0 1.0
   54    57   -70    49   0.18800 -1.0 2.0
   54    57   -70    49   0.81350  1.0 3.0
   54    57    70    63   1.99000  1.0 1.0
   54    57    70    63   0.18800 -1.0 2.0
   54    57    70    63   0.81350  1.0 3.0
   54    57    70    71   0.28000  1.0 3.0
   55    54    57    58   0.28000  1.0 3.0
   55    54    57    70   0.28000  1.0 3.0
   56    54    57    58   0.28000  1.0 3.0
   56    54    57    70   0.28000  1.0 3.0
   57    58    61    62   0.15000  1.0 3.0
   57    58   -61    63   1.53400  1.0 1.0
   57    58   -61    63  -0.09950 -1.0 2.0
   57    58   -61    63   0.05700  1.0 3.0
   57    58    61    65   3.18500  1.0 1.0
   58    57    70    49   1.99000  1.0 1.0
   58    57    70    49   0.18800 -1.0 2.0
   58    57    70    49   0.81350  1.0 3.0
   58    57   -70    63   1.99000  1.0 1.0
   58    57   -70    63   0.18800 -1.0 2.0
   58    57   -70    63   0.81350  1.0 3.0
   58    57    70    71   0.28000  1.0 3.0
   58    61    63    64   0.15000  1.0 3.0
   58    61    63    67   0.56750  1.0 1.0
   58    61    63    67  -0.07550 -1.0 2.0
   58    61    63    67   0.20000  1.0 3.0
   58    61   -63    70   0.56750  1.0 1.0
   58    61   -63    70  -0.07550 -1.0 2.0
   58    61   -63    70   0.20000  1.0 3.0
   58    61    65    66  -0.11600  1.0 1.0
   58    61    65    66  -0.09450 -1.0 2.0
   58    61    65    66   0.21250  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    65   0.23400  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    65   0.23400  1.0 3.0
   61    63    67    68   0.15000  1.0 3.0
   61    63    67    69   0.15000  1.0 3.0
   61    63    67    72   0.62750  1.0 1.0
   61    63    67    72  -0.30950 -1.0 2.0
   61    63    67    72   0.27300  1.0 3.0
   61    63    70    49   0.56750  1.0 1.0
   61    63    70    49  -0.07550 -1.0 2.0
   61    63    70    49   0.20000  1.0 3.0
   61    63   -70    57   1.53400  1.0 1.0
   61    63   -70    57  -0.09950 -1.0 2.0
   61    63   -70    57   0.05700  1.0 3.0
   61    63    70    71   0.15000  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    67   0.15000  1.0 3.0
   62    61    63    70   0.15000  1.0 3.0
   62    61    65    66   0.19450  1.0 3.0
   63    61    65    66  -0.11600  1.0 1.0
   63    61    65    66  -0.09450 -1.0 2.0
   63    61    65    66   0.21250  1.0 3.0
   63    67    72    73  -0.25900  1.0 1.0
   63    67    72    73  -0.47000 -1.0 2.0
   63    67    72    73   0.11750  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    69   0.15000  1.0 3.0
   64    63    67    72   0.23400  1.0 3.0
   64    63    70    49   0.15000  1.0 3.0
   64    63    70    57   0.15000  1.0 3.0
   64    63    70    71   0.15000  1.0 3.0
   67    63    70    49   0.56750  1.0 1.0
   67    63    70    49  -0.07550 -1.0 2.0
   67    63    70    49   0.20000  1.0 3.0
   67    63    70    57   1.53400  1.0 1.0
   67    63    70    57  -0.09950 -1.0 2.0
   67    63    70    57   0.05700  1.0 3.0
   67    63    70    71   0.15000  1.0 3.0
   67    72    73    74   3.00000 -1.0 2.0
   67    72    73    75   1.63150  1.0 1.0
   67    72    73    75   2.92000 -1.0 2.0
   68    67    72    73   0.08050  1.0 3.0
   69    67    72    73   0.08050  1.0 3.0
   72    73    75    76   0.40000  1.0 3.0
   72    73    75    77   0.36750  1.0 3.0
   72    73    75    81   0.30750  1.0 1.0
   72    73    75    81   1.13850 -1.0 2.0
   72    73    75    81   0.38850  1.0 3.0
   73    75    76    45   0.17250  1.0 1.0
   73    75    76    45  -0.04100 -1.0 2.0
   73    75    76    45  -0.33850  1.0 3.0
   73    75    76    83  -0.51250  1.0 1.0
   73    75    76    83  -0.88800 -1.0 2.0
   73    75    76    83   0.08850  1.0 3.0
   73    75    77    78  -0.11250  1.0 3.0
   73    75    77    79  -0.11250  1.0 3.0
   73    75    77    80  -0.11250  1.0 3.0
   73    75    81    82   0.91850  1.0 1.0
   73    75    81    82   0.57950  1.0 3.0
   74    73    75    76   0.30150 -1.0 2.0
   74    73    75    77   0.30150 -1.0 2.0
   74    73    75    81   0.30150 -1.0 2.0
   75    76    45    38   0.09700  1.0 1.0
   75    76    45    38   0.15600 -1.0 2.0
   75    76    45    38  -0.50800  1.0 3.0
   75    76    45    46   0.34800  1.0 3.0
   75    76    45    47   0.34800  1.0 3.0
   75    76    83    84   7.00000 -1.0 2.0
   75    76    83    85   7.00000 -1.0 2.0
   76    75    77    78   0.15000  1.0 3.0
   76    75    77    79   0.15000  1.0 3.0
   76    75    77    80   0.15000  1.0 3.0
   76    75    81    82  -0.07800  1.0 1.0
   76    75    81    82  -0.21500 -1.0 2.0
   76    75    81    82  -0.03150  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    48   7.00000 -1.0 2.0
   45    76    83    84   7.00000 -1.0 2.0
   45    76    83    85   7.00000 -1.0 2.0
   83    76    45    38  -0.28300  1.0 1.0
   83    76    45    38   0.26700 -1.0 2.0
   83    76    45    38  -0.63300  1.0 3.0
   83    76    45    46   0.00000  1.0 1.0
   83    76    45    47   0.00000  1.0 1.0
   77    75    76    45   0.46850  1.0 1.0
   77    75    76    45   0.08550 -1.0 2.0
   77    75    76    45   0.09800  1.0 3.0
   77    75    76    83   0.09850  1.0 1.0
   77    75    76    83   0.15250 -1.0 2.0
   77    75    76    83  -0.50650  1.0 3.0
   77    75    81    82  -0.11600  1.0 1.0
   77    75    81    82  -0.09450 -1.0 2.0
   77    75    81    82   0.21250  1.0 3.0
   81    75    76    45   0.18000  1.0 1.0
   81    75    76    45   0.16450 -1.0 2.0
   81    75    76    45   0.04450  1.0 3.0
   81    75    76    83   0.67800  1.0 1.0
   81    75    76    83   0.47050 -1.0 2.0
   81    75    76    83  -0.62500  1.0 3.0
   81    75    77    78   0.23400  1.0 3.0
   81    75    77    79   0.23400  1.0 3.0
   81    75    77    80   0.23400  1.0 3.0
   70    49    51    52   0.15000  1.0 3.0
   70    49    51    53   0.15000  1.0 3.0
   70    49   -51    54   0.56750  1.0 1.0
   70    49   -51    54  -0.07550 -1.0 2.0
   70    49   -51    54   0.20000  1.0 3.0
   70    57    58    59   0.28000  1.0 3.0
   70    57    58    60   0.28000  1.0 3.0
   70    57   -58    61   1.99000  1.0 1.0
   70    57   -58    61   0.18800 -1.0 2.0
   70    57   -58    61   0.81350  1.0 3.0
   70    63    67    68   0.15000  1.0 3.0
   70    63    67    69   0.15000  1.0 3.0
   70    63    67    72   0.62750  1.0 1.0
   70    63    67    72  -0.30950 -1.0 2.0
   70    63    67    72   0.27300  1.0 3.0
   65    61    63    64   0.23400  1.0 3.0
   65    61    63    67   0.86500  1.0 1.0
   65    61    63    67  -0.17500 -1.0 2.0
   65    61    63    67   0.20800  1.0 3.0
   65    61    63    70   0.86500  1.0 1.0
   65    61    63    70  -0.17500 -1.0 2.0
   65    61    63    70   0.20800  1.0 3.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  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    45    38    43   1.10000 -1.0 2.0
   44    48    43    38   1.10000 -1.0 2.0
   72    75    73    74  10.50000 -1.0 2.0
   75    45    76    83   1.10000 -1.0 2.0
   84    85    83    76   1.10000 -1.0 2.0
END
