* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    161    240     474
    1     0 S   NP   _N1_     1    30.19003    87.71838   -19.04691
    2     1 S   H    _HN1     2     1.02738    52.37336  -115.25483
    3     1 S   H    _H1_     3     1.03573   121.34791   -27.64899
    4     1 S   H    _H2_     4     1.02745    55.85229    62.66336
    5     1 S   CT   _CA1     5     1.49953   127.88001   154.65076
    6     5 S   HC   _HA1     6     1.09556   105.30053     4.93503
    7     5 S   CO3  _C1_     7     1.53867   112.66956  -115.52510
    8     7 S   O2Z  _O11     8     1.26347   115.37702   -45.68475
    9     7 S   O2Z  _O12     9     1.26284   114.88026   133.78272
   10     5 S   CT   _CB1    10     1.53017   107.22302   123.16638
   11    10 S   HC   HB11    11     1.09831   109.81869   -46.83902
   12    10 S   HC   HB12    12     1.09809   109.94936    69.63426
   13    10 S   CT   _CG1    13     1.52987   113.05323  -168.11671
   14    13 S   HC   HG11    14     1.09576   110.53761   -53.95683
   15    13 S   HC   HG12    15     1.09576   110.31944    65.58658
   16    13 S   C    _CD1    16     1.51698   111.43056  -173.86116
   17    16 S   O    _OE1    17     1.22804   123.25369    -9.55619
   18    16 S   N    _N2_    18     1.38567   112.11639   169.17369
   19    18 S   H    _HN2    19     1.01567   119.60703     7.93556
   20    18 S   CT1  _CA2    20     1.45499   121.99909  -174.40942
   21    20 S   HC   _HA2    21     1.09621   108.30974    26.61999
   22    20 S   C    _C2_    22     1.52927   107.59071   -90.23687
   23    22 S   O    _O2_    23     1.22942   122.87903   -27.80551
   24    20 S   CT   _CB2    32     1.53258   112.95455   149.29822
   25    24 S   HC   HB21    33     1.09675   109.63975    68.93962
   26    24 S   HC   HB22    34     1.09596   110.38482  -174.46693
   27    22 S   N    _N3_    24     1.38609   112.37519   155.12929
   28    27 S   H    _HN3    25     1.01484   119.77464     0.72416
   29    24 S   S    _SG2    35     1.82996   116.02214   -51.09382
   30    27 S   CT   _CA3    26     1.45460   122.86553   175.13317
   31    30 S   HC   HA31    27     1.09534   109.00756    29.36935
   32    30 S   HC   HA32    28     1.09479   107.16595   146.53701
   33    29 S   CT   _C16    36     1.83156   101.29858   -57.32411
   34    33 S   HC   _H17    37     1.09526   106.09921  -130.29091
   35    33 S   HC   _H18    38     1.09339   110.16342   -13.77348
   36    30 S   CO3  _C3_    29     1.53059   113.52217   -93.66419
   37    36 S   O2Z  _O31    30     1.26382   115.77613   -31.26299
   38    36 S   O2Z  _O32    31     1.26402   114.70537   149.59492
   39    33 S   CT   _C14    39     1.53443   110.54205   110.16213
   40    39 S   HC   _H11    40     1.09425   109.98132   -47.82942
   41    39 S   CT   _C15    41     1.53345   112.50986  -169.35796
   42    41 S   HC   _H12    42     1.09644   111.22314    59.94643
   43    41 S   CT   _C11    43     1.54003   110.11822  -178.72851
   44    43 S   HC   _H8_    44     1.09842   108.15297   -67.22981
   45    41 S   OH   _O38    86     1.43102   109.82105   -58.54037
   46    45 S   HO   _H16    87     0.97164   107.89104    73.30426
   47    43 S   CT   _C12    45     1.54419   110.58842    52.82532
   48    47 S   HC   _H9_    46     1.09729   109.11841    71.64725
   49    43 S   OS   _O36    63     1.43303   106.73018   174.12948
   50    47 S   CO   _C13    47     1.54328   110.69480   -49.01799
   51    50 S   HC   _H10    48     1.09852   110.01906   -68.33693
   52    47 S   N    _N4_    55     1.46638   110.88783  -169.82189
   53    52 S   H    _H22    56     1.02018   117.43079    69.62377
   54    49 S   CO   _C8_    64     1.43309   115.04487   142.56600
   55    54 S   HC   _H6_    65     1.09232   108.78679    53.64265
   56    39 S   OS   _O37    49     1.43302   107.99329    70.79443
   57    50 S   OS   _O39    50     1.43472   107.82226   173.24257
   58    52 S   C    _C18    57     1.38215   123.87936  -110.47573
   59    58 S   O    _O40    58     1.22742   125.83504     1.36200
   60    54 S   CT   _C7_    66     1.53391   106.66419   172.27549
   61    60 S   HC   _H5_    67     1.09700   109.77601    52.33018
   62    57 S   CT   _C17    51     1.42132   112.14106   167.16230
   63    62 S   HC   _H19    52     1.09329   108.26251  -179.92598
   64    62 S   HC   _H20    53     1.09399   110.81288    61.19064
   65    62 S   HC   _H21    54     1.09431   110.50300   -61.23477
   66    58 S   CT   _C19    59     1.50472   112.16647  -179.74977
   67    66 S   HC   _H23    60     1.09373   110.07731    53.92674
   68    66 S   HC   _H24    61     1.09340   109.72795   173.61835
   69    66 S   HC   _H25    62     1.09345   109.60520   -66.56609
   70    60 S   CT   _C6_    68     1.53080   111.69965   174.22101
   71    70 S   HC   _H4_    69     1.09511   109.86276    74.10658
   72    60 S   OH   _O41    84     1.42994   110.20554   -64.14667
   73    72 S   HO   _H26    85     0.97268   108.14960   -54.49587
   74    70 S   CT   _C5_    70     1.53466   110.83424   -49.03445
   75    74 S   HC   _H3_    71     1.10041   106.68791   -66.65119
   76    70 S   OH   _O42    82     1.43031   109.35911  -170.20909
   77    76 S   HO   _H27    83     0.97225   107.94698    59.15238
   78    74 S   CT   _C9_    72     1.53454   111.73056    49.89898
   79    78 S   HC   _H7_    73     1.09878   106.67940  -167.98855
   80    74 S   CT   _C4_    78     1.52989   112.21836   177.46765
   81    80 S   HC   _H13    79     1.09390   112.02837   -57.48508
   82    80 S   HC   _H14    80     1.09511   110.73567  -178.29659
   83    80 S   HC   _H15    81     1.09519   110.77973    62.56064
   84    54 S   OS   _O33    74     1.43044   110.95767   -67.49741
   85    78 S   CO3  _C10    75     1.54430   121.00329    72.16015
   86    85 S   O2Z  _O35    76     1.26104   116.46507   -20.40583
   87    85 S   O2Z  _O34    77     1.26535   114.70413   159.80977
  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   7   5   4   3
  10   5   4   2   1   1  13   6  12   7  17   7   4   1  13   8
  10  10   4   9   3  13   6   2   4   5   4  12   7   3   2   1
   1   3   2   1   1  15   7   4   1  13   9   3   1   9   5   5
   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    56  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    50    56    45  
   35    39    40    41    56  
   39    40    41    56  
   37    38  
   38  
    0  
   40    41    42    43    44    47    50    51    56    57    49    45    46  
   41    42    43    50    56    45  
   42    43    44    47    48    50    56    52    49    54    45    46  
   43    44    47    56    49    45    46  
   44    47    48    50    51    56    57    52    53    58    49    54    55    60    84    45    46  
   47    48    50    52    49    54    45  
   46    47    49    56  
    0  
   48    50    51    56    57    62    52    53    58    59    66    49    54  
   50    51    56    57    52    53    58    49  
   54    55    60    61    70    78    84    72    50    52  
   51    56    57    62    63    64    65    52    53    58  
   56    57    62    52  
   53    58    59    66    67    68    69    56    57  
   58    59    66  
   55    60    61    70    71    74    78    79    84    85    76    72    73  
   60    61    70    78    84    72  
   57    62  
   62    63    64    65  
   59    66    67    68    69  
   66    67    68    69  
   61    70    71    74    75    78    84    80    76    77    72    73  
   70    71    74    84    76    72    73  
   63    64    65  
   64    65  
   65  
    0  
   67    68    69  
   68    69  
   69  
    0  
   71    74    75    78    79    84    85    80    81    82    83    76    77    72    73  
   74    75    78    80    76    77    72  
   73    74    76    84  
    0  
   75    78    79    84    85    86    87    80    81    82    83    76    77  
   78    79    84    85    80    81    82    83    76  
   77    78    80  
    0  
   79    84    85    86    87    80    81    82    83  
   84    85    86    87    80  
   81    82    83    84    85  
   82    83  
   83  
    0  
   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  -0.335000   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   52   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   53   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   54   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   56   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   57   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    56   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    49   320.000  1.410
   47    48   340.000  1.090
   47    50   250.000  1.527
   47    52   337.000  1.449
   50    51   340.000  1.090
   50    56   320.000  1.380
   50    57   320.000  1.380
   57    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   52    53   434.000  1.010
   52    58   490.000  1.335
   58    59   570.000  1.229
   58    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   49    54   320.000  1.380
   54    55   340.000  1.090
   54    60   250.000  1.527
   54    84   320.000  1.380
   60    61   340.000  1.090
   60    70   268.000  1.529
   60    72   320.000  1.410
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   320.000  1.410
   74    75   340.000  1.090
   74    78   268.000  1.529
   74    80   268.000  1.529
   78    79   340.000  1.090
   78    84   320.000  1.410
   78    85   317.000  1.522
   85    86   656.000  1.250
   85    87   656.000  1.250
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   76    77   553.000  0.945
   72    73   553.000  0.945
   45    46   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    56    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    56    50    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    43    49    50.00000  109.50000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    50    75.00000  109.43000
   43    47    52    70.00000  110.72300
   43    49    54    60.00000  109.50000
   47    43    44    37.50000  110.70000
   47    50    51    45.00000  112.01100
   47    50    56    90.00000  108.56700
   47    50    57    90.00000  108.56700
   47    52    53    38.00000  118.40000
   47    52    58    50.00000  121.90000
   50    47    48    45.00000  108.72000
   50    57    62    60.00000  109.50000
   56    39    40    35.00000  109.50000
   56    39    41    50.00000  109.50000
   56    50    51    35.00000  109.50000
   57    50    51    35.00000  109.50000
   57    50    56    92.60000  111.55000
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    65    35.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   52    47    48    35.00000  109.50000
   52    47    50    70.00000  110.72300
   52    58    59    80.00000  122.90000
   52    58    66    70.00000  116.60000
   58    52    53    35.00000  119.80000
   58    66    67    35.00000  109.50000
   58    66    68    35.00000  109.50000
   58    66    69    35.00000  109.50000
   66    58    59    80.00000  120.40000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   49    43    44    35.00000  109.50000
   49    43    47    50.00000  109.50000
   49    54    55    35.00000  109.50000
   49    54    60    90.00000  108.56700
   49    54    84    92.60000  111.55000
   54    60    61    45.00000  108.72000
   54    60    70    75.00000  109.43000
   54    60    72    90.00000  111.58700
   54    84    78    60.00000  109.50000
   60    54    55    45.00000  112.01100
   60    70    71    37.50000  110.70000
   60    70    74    58.35000  112.70000
   60    70    76    50.00000  109.50000
   60    72    73    55.00000  108.50000
   70    60    61    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    78    58.35000  112.70000
   70    74    80    58.35000  112.70000
   70    76    77    55.00000  108.50000
   74    70    71    37.50000  110.70000
   74    78    79    37.50000  110.70000
   74    78    84    50.00000  109.50000
   74    78    85    70.00000  109.69300
   74    80    81    37.50000  110.70000
   74    80    82    37.50000  110.70000
   74    80    83    37.50000  110.70000
   78    74    75    37.50000  110.70000
   78    85    86    70.00000  117.00000
   78    85    87    70.00000  117.00000
   84    54    55    35.00000  109.50000
   84    54    60    90.00000  108.56700
   84    78    79    35.00000  109.50000
   85    78    79    35.00000  109.50000
   85    78    84    85.00000  109.63000
   87    85    86    80.00000  126.00000
   80    74    75    37.50000  110.70000
   80    74    78    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   76    70    71    35.00000  109.50000
   76    70    74    50.00000  109.50000
   72    60    61    35.00000  109.50000
   72    60    70    50.00000  109.50000
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    56   0.56750  1.0 1.0
   29    33    39    56  -0.07550 -1.0 2.0
   29    33    39    56   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    56    50   0.06250  1.0 1.0
   33    39    56    50  -0.01100 -1.0 2.0
   33    39    56    50   0.28050  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    56   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    56   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41    43    47   0.56750  1.0 1.0
   39    41    43    47  -0.07550 -1.0 2.0
   39    41    43    47   0.20000  1.0 3.0
   39    41    43    49   0.62750  1.0 1.0
   39    41    43    49  -0.30950 -1.0 2.0
   39    41    43    49   0.27300  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    56    50   0.37050  1.0 3.0
   41    39    56    50   0.06250  1.0 1.0
   41    39    56    50  -0.01100 -1.0 2.0
   41    39    56    50   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43   -47    50   3.97050  1.0 1.0
   41    43    47    52  -0.27100  1.0 1.0
   41    43    47    52  -0.01700 -1.0 2.0
   41    43    47    52  -0.48600  1.0 3.0
   41    43    49    54   0.06250  1.0 1.0
   41    43    49    54  -0.01100 -1.0 2.0
   41    43    49    54   0.28050  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46  -0.11600  1.0 1.0
   43    41    45    46  -0.09450 -1.0 2.0
   43    41    45    46   0.21250  1.0 3.0
   43    47    50    51   0.15000  1.0 3.0
   43    47    50    56   0.62750  1.0 1.0
   43    47    50    56  -0.30950 -1.0 2.0
   43    47    50    56   0.27300  1.0 3.0
   43    47    50    57   0.62750  1.0 1.0
   43    47    50    57  -0.30950 -1.0 2.0
   43    47    50    57   0.27300  1.0 3.0
   43    47    52    53   0.00000  1.0 1.0
   43    47    52    58  -0.43950  1.0 1.0
   43    47    52    58  -0.08100 -1.0 2.0
   43    47    52    58   0.03350  1.0 3.0
   43    49    54    55   0.37050  1.0 3.0
   43    49    54    60   0.06250  1.0 1.0
   43    49    54    60  -0.01100 -1.0 2.0
   43    49    54    60   0.28050  1.0 3.0
   43    49    54    84  -0.53350  1.0 1.0
   43    49    54    84  -0.78350 -1.0 2.0
   43    49    54    84   0.33750  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    50   0.15000  1.0 3.0
   44    43    47    52   0.15000  1.0 3.0
   44    43    49    54   0.37050  1.0 3.0
   47    43    49    54   0.06250  1.0 1.0
   47    43    49    54  -0.01100 -1.0 2.0
   47    43    49    54   0.28050  1.0 3.0
   47    50   -56    39   0.06250  1.0 1.0
   47    50   -56    39  -0.01100 -1.0 2.0
   47    50   -56    39   0.28050  1.0 3.0
   47    50    57    62   0.06250  1.0 1.0
   47    50    57    62  -0.01100 -1.0 2.0
   47    50    57    62   0.28050  1.0 3.0
   47    52    58    59   3.04450 -1.0 2.0
   47    52    58    66   1.49850  1.0 1.0
   47    52    58    66   1.53950 -1.0 2.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    56   0.23400  1.0 3.0
   48    47    50    57   0.23400  1.0 3.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    52    58   0.00000  1.0 1.0
   50    47    52    53   0.00000  1.0 1.0
   50    47    52    58  -0.43950  1.0 1.0
   50    47    52    58  -0.08100 -1.0 2.0
   50    47    52    58   0.03350  1.0 3.0
   50    57    62    63   0.37050  1.0 3.0
   50    57    62    64   0.37050  1.0 3.0
   50    57    62    65   0.37050  1.0 3.0
   51    50    56    39   0.37050  1.0 3.0
   51    50    57    62   0.37050  1.0 3.0
   56    39    41    42   0.23400  1.0 3.0
   56    39   -41    43   0.62750  1.0 1.0
   56    39   -41    43  -0.30950 -1.0 2.0
   56    39   -41    43   0.27300  1.0 3.0
   56    39    41    45   3.69350  1.0 1.0
   56    39    41    45  -1.82950 -1.0 2.0
   56    50    57    62  -0.53350  1.0 1.0
   56    50    57    62  -0.78350 -1.0 2.0
   56    50    57    62   0.33750  1.0 3.0
   57    50    56    39  -0.81800  1.0 1.0
   52    47    50    51   0.15000  1.0 3.0
   52    47    50    56   1.12100  1.0 1.0
   52    47    50    56  -0.16500 -1.0 2.0
   52    47    50    57   1.12100  1.0 1.0
   52    47    50    57  -0.16500 -1.0 2.0
   52    58    66    67   0.00000  1.0 1.0
   52    58    66    68   0.00000  1.0 1.0
   52    58    66    69   0.00000  1.0 1.0
   53    52    58    59   2.45000 -1.0 2.0
   53    52    58    66   2.45000 -1.0 2.0
   59    58    66    67   0.00000  1.0 1.0
   59    58    66    68   0.00000  1.0 1.0
   59    58    66    69   0.00000  1.0 1.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    50   0.62750  1.0 1.0
   49    43    47    50  -0.30950 -1.0 2.0
   49    43    47    50   0.27300  1.0 3.0
   49    43    47    52   1.12100  1.0 1.0
   49    43    47    52  -0.16500 -1.0 2.0
   49    54    60    61   0.23400  1.0 3.0
   49    54    60    70   0.62750  1.0 1.0
   49    54    60    70  -0.30950 -1.0 2.0
   49    54    60    70   0.27300  1.0 3.0
   49    54    60    72   3.69350  1.0 1.0
   49    54    60    72  -1.82950 -1.0 2.0
   49    54    84    78  -0.81800  1.0 1.0
   54    60    70    71   0.15000  1.0 3.0
   54    60    70    74   3.97050  1.0 1.0
   54    60    70    76   0.86500  1.0 1.0
   54    60    70    76  -0.17500 -1.0 2.0
   54    60    70    76   0.20800  1.0 3.0
   54    60    72    73  -0.11600  1.0 1.0
   54    60    72    73  -0.09450 -1.0 2.0
   54    60    72    73   0.21250  1.0 3.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    60    70   0.15000  1.0 3.0
   55    54    60    72   0.23400  1.0 3.0
   55    54    84    78   0.37050  1.0 3.0
   60    54    84    78   0.06250  1.0 1.0
   60    54    84    78  -0.01100 -1.0 2.0
   60    54    84    78   0.28050  1.0 3.0
   60    70    74    75   0.15000  1.0 3.0
   60    70   -74    78   0.56750  1.0 1.0
   60    70   -74    78  -0.07550 -1.0 2.0
   60    70   -74    78   0.20000  1.0 3.0
   60    70    74    80   0.56750  1.0 1.0
   60    70    74    80  -0.07550 -1.0 2.0
   60    70    74    80   0.20000  1.0 3.0
   60    70    76    77  -0.11600  1.0 1.0
   60    70    76    77  -0.09450 -1.0 2.0
   60    70    76    77   0.21250  1.0 3.0
   61    60    70    71   0.15000  1.0 3.0
   61    60    70    74   0.15000  1.0 3.0
   61    60    70    76   0.23400  1.0 3.0
   61    60    72    73   0.19450  1.0 3.0
   70    60    72    73  -0.11600  1.0 1.0
   70    60    72    73  -0.09450 -1.0 2.0
   70    60    72    73   0.21250  1.0 3.0
   70    74    78    79   0.15000  1.0 3.0
   70    74    78    84   0.62750  1.0 1.0
   70    74    78    84  -0.30950 -1.0 2.0
   70    74    78    84   0.27300  1.0 3.0
   70    74    78    85  -1.63150  1.0 1.0
   70    74    78    85  -0.43550 -1.0 2.0
   70    74    78    85   0.24500  1.0 3.0
   70    74    80    81   0.15000  1.0 3.0
   70    74    80    82   0.15000  1.0 3.0
   70    74    80    83   0.15000  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    78   0.15000  1.0 3.0
   71    70    74    80   0.15000  1.0 3.0
   71    70    76    77   0.19450  1.0 3.0
   74    70    76    77  -0.11600  1.0 1.0
   74    70    76    77  -0.09450 -1.0 2.0
   74    70    76    77   0.21250  1.0 3.0
   74    78   -84    54   0.06250  1.0 1.0
   74    78   -84    54  -0.01100 -1.0 2.0
   74    78   -84    54   0.28050  1.0 3.0
   74    78    85    86   0.41150 -1.0 2.0
   74    78    85    87   0.41150 -1.0 2.0
   75    74    78    79   0.15000  1.0 3.0
   75    74    78    84   0.23400  1.0 3.0
   75    74    78    85  -0.11250  1.0 3.0
   75    74    80    81   0.15000  1.0 3.0
   75    74    80    82   0.15000  1.0 3.0
   75    74    80    83   0.15000  1.0 3.0
   78    74    80    81   0.15000  1.0 3.0
   78    74    80    82   0.15000  1.0 3.0
   78    74    80    83   0.15000  1.0 3.0
   79    78    84    54   0.37050  1.0 3.0
   79    78    85    86   0.00000  1.0 1.0
   79    78    85    87   0.00000  1.0 1.0
   84    54    60    61   0.23400  1.0 3.0
   84    54   -60    70   0.62750  1.0 1.0
   84    54   -60    70  -0.30950 -1.0 2.0
   84    54   -60    70   0.27300  1.0 3.0
   84    54    60    72   3.69350  1.0 1.0
   84    54    60    72  -1.82950 -1.0 2.0
   84    78    85    86   0.30150 -1.0 2.0
   84    78    85    87   0.30150 -1.0 2.0
   85    78    84    54  -1.11000  1.0 1.0
   85    78    84    54   0.50250 -1.0 2.0
   85    78    84    54   0.47450  1.0 3.0
   80    74    78    79   0.15000  1.0 3.0
   80    74    78    84   0.62750  1.0 1.0
   80    74    78    84  -0.30950 -1.0 2.0
   80    74    78    84   0.27300  1.0 3.0
   80    74    78    85  -1.63150  1.0 1.0
   80    74    78    85  -0.43550 -1.0 2.0
   80    74    78    85   0.24500  1.0 3.0
   76    70    74    75   0.23400  1.0 3.0
   76    70    74    78   0.86500  1.0 1.0
   76    70    74    78  -0.17500 -1.0 2.0
   76    70    74    78   0.20800  1.0 3.0
   76    70    74    80   0.86500  1.0 1.0
   76    70    74    80  -0.17500 -1.0 2.0
   76    70    74    80   0.20800  1.0 3.0
   72    60    70    71   0.23400  1.0 3.0
   72    60    70    74   0.86500  1.0 1.0
   72    60    70    74  -0.17500 -1.0 2.0
   72    60    70    74   0.20800  1.0 3.0
   72    60    70    76   3.75450  1.0 1.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    47   0.86500  1.0 1.0
   45    41    43    47  -0.17500 -1.0 2.0
   45    41    43    47   0.20800  1.0 3.0
   45    41    43    49   3.69350  1.0 1.0
   45    41    43    49  -1.82950 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   53    58    52    47   1.00000 -1.0 2.0
   52    66    58    59  10.50000 -1.0 2.0
   86    78    85    87  10.50000 -1.0 2.0
END
