* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    166    247     492
    1     0 S   NP   _N1_     1    28.88191   100.47649   -20.55186
    2     1 S   H    _HN1     2     1.02835    61.33877   158.05939
    3     1 S   H    _H1_     3     1.02790    99.34238   -96.57725
    4     1 S   H    _H2_     4     1.02949    51.84459     9.45939
    5     1 S   CT   _CA1     5     1.50150   148.03366    74.57551
    6     5 S   HC   _HA1     6     1.09576   105.12783   127.89842
    7     5 S   CO3  _C1_     7     1.53649   112.56096     7.84160
    8     7 S   O2Z  _O11     8     1.26368   115.01785   -39.98710
    9     7 S   O2Z  _O12     9     1.26225   114.93358   139.17397
   10     5 S   CT   _CB1    10     1.53072   107.40555  -114.23298
   11    10 S   HC   HB11    11     1.09835   109.01029   -50.24955
   12    10 S   HC   HB12    12     1.09816   110.50783    66.19799
   13    10 S   CT   _CG1    13     1.53105   112.91232  -171.35991
   14    13 S   HC   HG11    14     1.09525   110.59889   -70.92763
   15    13 S   HC   HG12    15     1.09662   109.82693    48.36689
   16    13 S   C    _CD1    16     1.51850   111.99473   168.59359
   17    16 S   O    _OE1    17     1.22779   123.12181     9.83051
   18    16 S   N    _N2_    18     1.38628   112.04601  -170.17649
   19    18 S   H    _HN2    19     1.01587   119.07178     1.65434
   20    18 S   CT1  _CA2    20     1.45968   122.52459   173.19663
   21    20 S   HC   _HA2    21     1.09670   110.20024    18.68659
   22    20 S   C    _C2_    22     1.52707   104.20280   -98.38848
   23    22 S   O    _O2_    23     1.22998   122.48509   -84.19098
   24    20 S   CT   _CB2    32     1.53121   112.11257   142.40956
   25    24 S   HC   HB21    33     1.09572   110.73474    48.95550
   26    24 S   HC   HB22    34     1.09449   109.58138   168.32302
   27    22 S   N    _N3_    24     1.38427   112.96021    91.40785
   28    27 S   H    _HN3    25     1.01697   120.24101     0.70831
   29    24 S   S    _SG2    35     1.82486   110.68412   -71.78613
   30    27 S   CT   _CA3    26     1.45335   122.46835  -177.82777
   31    30 S   HC   HA31    27     1.09562   107.59290   -60.74378
   32    30 S   HC   HA32    28     1.09571   107.80307    55.55472
   33    29 S   CT   _C21    36     1.84312   100.00229   174.53664
   34    33 S   HC   _H6_    37     1.09712   106.71430   -41.89793
   35    30 S   CO3  _C3_    29     1.52872   114.41529   177.39669
   36    35 S   O2Z  _O31    30     1.26318   116.10838    -1.03797
   37    35 S   O2Z  _O32    31     1.26442   114.38151   179.04673
   38    33 S   CT   _C7_    38     1.55535   112.55364  -159.72924
   39    38 S   HC   _H4_    39     1.09752   106.87920  -177.92406
   40    33 S   CT   _C22    86     1.52943   109.85068    74.94859
   41    40 S   HC   _H28    87     1.09489   112.39358    56.19445
   42    40 S   HC   _H29    88     1.09479   111.45564   -64.96861
   43    40 S   HC   _H30    89     1.09566   110.44789   176.54577
   44    38 S   CO4  _C8_    40     1.52742   108.48123    69.65904
   45    44 S   O    _O33    41     1.22559   122.86048    76.95562
   46    38 S   CT   _C6_    73     1.54973   114.80151   -59.29980
   47    46 S   HC   _H10    74     1.09649   109.33683   -53.50973
   48    46 S   HC   _H11    75     1.09428   108.76832    61.69406
   49    44 S   OS   _O34    42     1.35966   111.55662  -100.12653
   50    49 S   CT   _C9_    43     1.43910   117.96412   176.25080
   51    50 S   HC   _H5_    44     1.09733   110.93142    31.69879
   52    50 S   CO4  _C15    45     1.52429   104.70867   147.26925
   53    52 S   O    _O35    46     1.23118   121.65939  -105.32296
   54    50 S   CT   _C10    57     1.52861   108.55470   -89.74563
   55    54 S   HC   _H12    58     1.09820   108.63459    61.41639
   56    54 S   HC   _H13    59     1.09680   110.94148   -52.39667
   57    52 S   CM   _C14    47     1.48775   118.69175    70.02575
   58    57 S   CM   _C13    48     1.34548   120.29271    76.68369
   59    58 S   HC   _H18    49     1.09109   116.39659  -179.81025
   60    57 S   CT   _C16    64     1.50626   117.86285  -104.00967
   61    60 S   HC   _H19    65     1.09665   109.40526   135.22339
   62    60 S   HC   _H20    66     1.09559   109.44334  -104.96056
   63    58 S   CT   _C12    50     1.51161   131.32686     1.94017
   64    63 S   HC   _H16    51     1.09896   104.41009   121.84503
   65    63 S   HC   _H17    52     1.09714   108.64276  -125.72896
   66    60 S   OS   _O36    67     1.43825   110.92125    13.58277
   67    63 S   NT   _N4_    53     1.46850   117.61541     0.78733
   68    66 S   CO4  _C17    68     1.36287   116.84659   156.92374
   69    68 S   O    _O37    69     1.22537   125.40748     2.46244
   70    67 S   CT   _C11    54     1.47257   112.98893   -85.88299
   71    70 S   HC   _H14    55     1.09725   110.51587   -64.00231
   72    70 S   HC   _H15    56     1.09803   108.65085   179.48376
   73    67 S   CT   _C20    60     1.46663   110.41567   151.39116
   74    73 S   HC   _H25    61     1.09587   110.70248  -177.98501
   75    73 S   HC   _H26    62     1.09538   112.18695    60.74980
   76    73 S   HC   _H27    63     1.09585   110.60989   -60.47651
   77    68 S   CT   _C18    70     1.53461   110.72103  -178.85602
   78    77 S   CT   _C5_    71     1.56114   112.57715    47.18583
   79    78 S   HC   _H3_    72     1.09623   107.79520   -62.79999
   80    77 S   CT   _C19    80     1.53290   107.36551   -77.70024
   81    80 S   HC   _H21    81     1.09480   111.68099  -165.01959
   82    80 S   HC   _H22    82     1.09504   111.58543    72.60499
   83    80 S   HC   _H23    83     1.09698   110.79591   -47.22054
   84    77 S   OH   _O38    84     1.42852   107.15404   166.57706
   85    84 S   HO   _H24    85     0.97315   108.00780    58.67946
   86    78 S   CT   _C4_    76     1.53802   111.88881  -180.00000
   87    86 S   HC   _H7_    77     1.09485   111.53756   -62.22216
   88    86 S   HC   _H8_    78     1.09369   111.44418   177.15167
   89    86 S   HC   _H9_    79     1.09394   111.38879    58.73749
  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  10   5   4   3
  14   8   2   1   1  16   8   5   2   1   1  10   3  13   5   4
   9  13   7  13   4   9   5   4  11  11   5   7   3   2  10   4
   3   6   7  11   4   6   2   1   3   2   1   1  12  11   6   6
   3   2   1   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    46    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    44    45    49    78    46    47    48    40    41    42    43  
   38    39    44    46    40    41    42    43  
   36    37  
   37  
    0  
   39    44    45    49    50    77    78    79    46    47    48    86    40    41    42    43  
   44    45    49    78    46    47    48    40  
   41    42    43    44    46  
   42    43  
   43  
    0  
   45    49    50    51    52    54    78    46    47    48  
   49    50    46  
   47    48    86    87    88    89    80    84    49    68    77    78    79  
   48    86    77    78    79  
   86    77    78    79  
   50    51    52    53    57    70    54    55    56  
   51    52    53    57    58    67    70    71    72    54    55    56    60  
   52    53    57    70    54    55    56  
   53    57    58    59    63    70    54    55    56    60    61    62    66  
   57    58    54    60  
   55    56    73    57    63    67    70    71    72  
   56    67    70    71    72  
   67    70    71    72  
   58    59    63    64    65    67    60    61    62    66    68  
   59    63    64    65    67    70    73    60    61    62    66  
   63    64    65    67    60  
   61    62    66    68    69    77    63  
   62    66    68  
   66    68  
   64    65    67    70    71    72    73    74    75    76  
   65    67    70    73  
   67    70    73  
   68    69    77    78    80    84  
   70    71    72    73    74    75    76  
   69    77    78    79    86    80    81    82    83    84    85  
   77    78    80    84  
   71    72    73    74    75    76  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    0  
   78    79    86    87    88    89    80    81    82    83    84    85  
   79    86    87    88    89    80    81    82    83    84    85  
   86    87    88    89    80    84  
   81    82    83    84    85    86  
   82    83    84  
   83    84  
   84  
   85    86  
    0  
   87    88    89  
   88    89  
   89  
    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   3.5000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.268000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   67   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    44   317.000  1.522
   38    46   268.000  1.529
   44    45   570.000  1.229
   44    49   214.000  1.327
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.522
   50    54   268.000  1.529
   52    53   570.000  1.229
   52    57   320.000  1.462
   57    58   549.000  1.340
   57    60   317.000  1.510
   58    59   340.000  1.080
   58    63   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   382.000  1.448
   67    70   382.000  1.448
   67    73   382.000  1.448
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   320.000  1.410
   66    68   214.000  1.327
   68    69   570.000  1.229
   68    77   317.000  1.522
   77    78   268.000  1.529
   77    80   268.000  1.529
   77    84   320.000  1.410
   78    79   340.000  1.090
   78    46   268.000  1.529
   78    86   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    44    63.00000  111.10000
   33    38    46    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    44    45    80.00000  120.40000
   38    44    49    81.00000  111.40000
   38    46    78    58.35000  112.70000
   38    46    47    37.50000  110.70000
   38    46    48    37.50000  110.70000
   44    38    39    35.00000  109.50000
   44    49    50    83.00000  116.90000
   49    44    45    83.00000  123.40000
   49    50    51    35.00000  109.50000
   49    50    52    90.00000  108.74100
   49    50    54    50.00000  109.50000
   50    52    53    80.00000  120.40000
   50    52    57    65.00000  118.62400
   50    54    70    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   52    50    51    35.00000  109.50000
   52    57    58    65.00000  118.96000
   52    57    60    65.00000  116.34900
   57    52    53    80.00000  123.72100
   57    58    59    35.00000  120.00000
   57    58    63    70.00000  124.00000
   57    60    61    35.00000  109.50000
   57    60    62    35.00000  109.50000
   57    60    66    85.00000  110.90400
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    67    75.00000  110.70900
   63    58    59    35.00000  117.00000
   63    67    70    51.80000  107.20000
   63    67    73    51.80000  107.20000
   65    63    64    33.00000  107.80000
   67    63    64    35.00000  109.50000
   67    63    65    35.00000  109.50000
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    54    56.20000  109.47000
   67    73    74    35.00000  109.50000
   67    73    75    35.00000  109.50000
   67    73    76    35.00000  109.50000
   70    54    55    37.50000  110.70000
   70    54    56    37.50000  110.70000
   72    70    71    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    63.00000  111.10000
   54    70    71    37.50000  110.70000
   54    70    72    37.50000  110.70000
   56    54    55    33.00000  107.80000
   73    67    70    51.80000  107.20000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   60    57    58    70.00000  124.00000
   60    66    68    83.00000  116.90000
   62    60    61    33.00000  107.80000
   66    60    61    35.00000  109.50000
   66    60    62    35.00000  109.50000
   66    68    69    83.00000  123.40000
   66    68    77    81.00000  111.40000
   68    77    78    63.00000  111.10000
   68    77    80    63.00000  111.10000
   68    77    84    90.00000  109.61100
   77    68    69    80.00000  120.40000
   77    78    79    37.50000  110.70000
   77    78    46    58.35000  112.70000
   77    78    86    58.35000  112.70000
   77    80    81    37.50000  110.70000
   77    80    82    37.50000  110.70000
   77    80    83    37.50000  110.70000
   77    84    85    55.00000  108.50000
   78    46    47    37.50000  110.70000
   78    46    48    37.50000  110.70000
   78    86    87    37.50000  110.70000
   78    86    88    37.50000  110.70000
   78    86    89    37.50000  110.70000
   46    38    39    37.50000  110.70000
   46    38    44    63.00000  111.10000
   46    78    79    37.50000  110.70000
   48    46    47    33.00000  107.80000
   86    78    79    37.50000  110.70000
   86    78    46    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   80    77    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
   84    77    78    50.00000  109.50000
   84    77    80    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    38    46   0.44750  1.0 1.0
   29    33    38    46  -0.17800 -1.0 2.0
   29    33    38    46   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    49   0.36750  1.0 3.0
   33    38    46    78   0.56750  1.0 1.0
   33    38    46    78  -0.07550 -1.0 2.0
   33    38    46    78   0.20000  1.0 3.0
   33    38    46    47   0.15000  1.0 3.0
   33    38    46    48   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    44  -0.11250  1.0 3.0
   34    33    38    46   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    43   0.15000  1.0 3.0
   38    44    49    50   1.63150  1.0 1.0
   38    44    49    50   2.92000 -1.0 2.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    49   0.00000  1.0 1.0
   39    38    46    78   0.15000  1.0 3.0
   39    38    46    47   0.15000  1.0 3.0
   39    38    46    48   0.15000  1.0 3.0
   44    38    46    78  -0.95700  1.0 1.0
   44    38    46    78  -0.18200 -1.0 2.0
   44    38    46    78   0.29450  1.0 3.0
   44    38    46    47  -0.11250  1.0 3.0
   44    38    46    48  -0.11250  1.0 3.0
   44    49    50    51   0.08050  1.0 3.0
   44    49    50    52  -1.80650  1.0 1.0
   44    49    50    52   0.63900 -1.0 2.0
   44    49    50    52   0.03650  1.0 3.0
   44    49    50    54  -0.25900  1.0 1.0
   44    49    50    54  -0.47000 -1.0 2.0
   44    49    50    54   0.11750  1.0 3.0
   45    44    49    50   3.00000 -1.0 2.0
   49    50    52    53   0.30150 -1.0 2.0
   49    50    52    57   0.65300  1.0 1.0
   49    50    52    57  -0.03850 -1.0 2.0
   49    50    52    57   0.33900  1.0 3.0
   49    50    54    70   0.62750  1.0 1.0
   49    50    54    70  -0.30950 -1.0 2.0
   49    50    54    70   0.27300  1.0 3.0
   49    50    54    55   0.23400  1.0 3.0
   49    50    54    56   0.23400  1.0 3.0
   50    52    57    58  -0.33500  1.0 1.0
   50    52    57    58   1.06600 -1.0 2.0
   50    52    57    58  -0.14000  1.0 3.0
   50    52    57    60   0.25700  1.0 1.0
   50    52    57    60   0.66200 -1.0 2.0
   50    52    57    60   0.04450  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    57   0.00000  1.0 1.0
   51    50    54    70   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   52    50    54    70  -0.95700  1.0 1.0
   52    50    54    70  -0.18200 -1.0 2.0
   52    50    54    70   0.29450  1.0 3.0
   52    50    54    55  -0.11250  1.0 3.0
   52    50    54    56  -0.11250  1.0 3.0
   52    57    58    59   7.00000 -1.0 2.0
   52    57    58    63   7.00000 -1.0 2.0
   52    57    60    61   0.15000  1.0 3.0
   52    57    60    62   0.15000  1.0 3.0
   52    57    60    66   0.09700  1.0 1.0
   52    57    60    66   0.15600 -1.0 2.0
   52    57    60    66  -0.50800  1.0 3.0
   53    52    57    58   1.00000 -1.0 2.0
   53    52    57    60  -0.64400  1.0 1.0
   53    52    57    60   0.26850 -1.0 2.0
   57    58    63    64   0.00000  1.0 1.0
   57    58    63    65   0.00000  1.0 1.0
   57    58    63    67   0.90200  1.0 1.0
   57    58    63    67   0.57900 -1.0 2.0
   57    58    63    67  -0.62100  1.0 3.0
   57    60    66    68  -0.82050  1.0 1.0
   57    60    66    68   0.00600 -1.0 2.0
   57    60    66    68   0.04400  1.0 3.0
   58    57    60    61   0.00000  1.0 1.0
   58    57    60    62   0.00000  1.0 1.0
   58    57    60    66   0.39000  1.0 1.0
   58    57    60    66  -0.05800 -1.0 2.0
   58    57    60    66  -0.55150  1.0 3.0
   58    63    67    70  -0.60800  1.0 1.0
   58    63    67    70   1.10050 -1.0 2.0
   58    63    67    70   0.47000  1.0 3.0
   58    63    67    73  -0.60800  1.0 1.0
   58    63    67    73   1.10050 -1.0 2.0
   58    63    67    73   0.47000  1.0 3.0
   59    58    63    64   0.33100  1.0 3.0
   59    58    63    65   0.33100  1.0 3.0
   59    58    63    67   0.00000  1.0 1.0
   63    67    70    71   0.28000  1.0 3.0
   63    67    70    72   0.28000  1.0 3.0
   63    67    70    54   0.23450  1.0 1.0
   63    67    70    54   0.02050 -1.0 2.0
   63    67    70    54   0.25250  1.0 3.0
   63    67    73    74   0.28000  1.0 3.0
   63    67    73    75   0.28000  1.0 3.0
   63    67    73    76   0.28000  1.0 3.0
   64    63    67    70   0.28000  1.0 3.0
   64    63    67    73   0.28000  1.0 3.0
   65    63    67    70   0.28000  1.0 3.0
   65    63    67    73   0.28000  1.0 3.0
   67    70    54    50   1.53400  1.0 1.0
   67    70    54    50  -0.09950 -1.0 2.0
   67    70    54    50   0.05700  1.0 3.0
   67    70    54    55   0.15000  1.0 3.0
   67    70    54    56   0.15000  1.0 3.0
   70    67    73    74   0.28000  1.0 3.0
   70    67    73    75   0.28000  1.0 3.0
   70    67    73    76   0.28000  1.0 3.0
   71    70    54    50   0.15000  1.0 3.0
   71    70    54    55   0.15000  1.0 3.0
   71    70    54    56   0.15000  1.0 3.0
   72    70    54    50   0.15000  1.0 3.0
   72    70    54    55   0.15000  1.0 3.0
   72    70    54    56   0.15000  1.0 3.0
   54    50    52    53   0.30150 -1.0 2.0
   54    50    52    57   0.65300  1.0 1.0
   54    50    52    57  -0.03850 -1.0 2.0
   54    50    52    57   0.33900  1.0 3.0
   73    67    70    71   0.28000  1.0 3.0
   73    67    70    72   0.28000  1.0 3.0
   73    67    70    54   0.23450  1.0 1.0
   73    67    70    54   0.02050 -1.0 2.0
   73    67    70    54   0.25250  1.0 3.0
   60    57    58    59   7.00000 -1.0 2.0
   60    57    58    63   7.00000 -1.0 2.0
   60    66    68    69   3.00000 -1.0 2.0
   60    66    68    77   1.63150  1.0 1.0
   60    66    68    77   2.92000 -1.0 2.0
   61    60    66    68   0.08050  1.0 3.0
   62    60    66    68   0.08050  1.0 3.0
   66    68    77    78   0.36750  1.0 3.0
   66    68    77    80   0.36750  1.0 3.0
   66    68    77    84   0.30750  1.0 1.0
   66    68    77    84   1.13850 -1.0 2.0
   66    68    77    84   0.38850  1.0 3.0
   68    77    78    79  -0.11250  1.0 3.0
   68    77    78    46  -0.95700  1.0 1.0
   68    77    78    46  -0.18200 -1.0 2.0
   68    77    78    46   0.29450  1.0 3.0
   68    77    78    86  -0.95700  1.0 1.0
   68    77    78    86  -0.18200 -1.0 2.0
   68    77    78    86   0.29450  1.0 3.0
   68    77    80    81  -0.11250  1.0 3.0
   68    77    80    82  -0.11250  1.0 3.0
   68    77    80    83  -0.11250  1.0 3.0
   68    77    84    85   0.91850  1.0 1.0
   68    77    84    85   0.57950  1.0 3.0
   69    68    77    78   0.30150 -1.0 2.0
   69    68    77    80   0.30150 -1.0 2.0
   69    68    77    84   0.30150 -1.0 2.0
   77    78    46    38   0.56750  1.0 1.0
   77    78    46    38  -0.07550 -1.0 2.0
   77    78    46    38   0.20000  1.0 3.0
   77    78    46    47   0.15000  1.0 3.0
   77    78    46    48   0.15000  1.0 3.0
   77    78    86    87   0.15000  1.0 3.0
   77    78    86    88   0.15000  1.0 3.0
   77    78    86    89   0.15000  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    82   0.15000  1.0 3.0
   78    77    80    83   0.15000  1.0 3.0
   78    77    84    85  -0.11600  1.0 1.0
   78    77    84    85  -0.09450 -1.0 2.0
   78    77    84    85   0.21250  1.0 3.0
   79    78    46    38   0.15000  1.0 3.0
   79    78    46    47   0.15000  1.0 3.0
   79    78    46    48   0.15000  1.0 3.0
   79    78    86    87   0.15000  1.0 3.0
   79    78    86    88   0.15000  1.0 3.0
   79    78    86    89   0.15000  1.0 3.0
   46    38    44    45   0.30150 -1.0 2.0
   46    38    44    49   0.36750  1.0 3.0
   46    78    86    87   0.15000  1.0 3.0
   46    78    86    88   0.15000  1.0 3.0
   46    78    86    89   0.15000  1.0 3.0
   86    78    46    38   0.56750  1.0 1.0
   86    78    46    38  -0.07550 -1.0 2.0
   86    78    46    38   0.20000  1.0 3.0
   86    78    46    47   0.15000  1.0 3.0
   86    78    46    48   0.15000  1.0 3.0
   80    77    78    79   0.15000  1.0 3.0
   80    77    78    46   0.56750  1.0 1.0
   80    77    78    46  -0.07550 -1.0 2.0
   80    77    78    46   0.20000  1.0 3.0
   80    77    78    86   0.56750  1.0 1.0
   80    77    78    86  -0.07550 -1.0 2.0
   80    77    78    86   0.20000  1.0 3.0
   80    77    84    85  -0.11600  1.0 1.0
   80    77    84    85  -0.09450 -1.0 2.0
   80    77    84    85   0.21250  1.0 3.0
   84    77    78    79   0.23400  1.0 3.0
   84    77    78    46   0.86500  1.0 1.0
   84    77    78    46  -0.17500 -1.0 2.0
   84    77    78    46   0.20800  1.0 3.0
   84    77    78    86   0.86500  1.0 1.0
   84    77    78    86  -0.17500 -1.0 2.0
   84    77    78    86   0.20800  1.0 3.0
   84    77    80    81   0.23400  1.0 3.0
   84    77    80    82   0.23400  1.0 3.0
   84    77    80    83   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    44  -0.95700  1.0 1.0
   40    33    38    44  -0.18200 -1.0 2.0
   40    33    38    44   0.29450  1.0 3.0
   40    33    38    46   0.56750  1.0 1.0
   40    33    38    46  -0.07550 -1.0 2.0
   40    33    38    46   0.20000  1.0 3.0
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
   36    30    35    37  10.50000 -1.0 2.0
   38    49    44    45  10.50000 -1.0 2.0
   50    57    52    53  10.50000 -1.0 2.0
   52    60    57    58   1.10000 -1.0 2.0
   63    59    58    57   1.10000 -1.0 2.0
   66    77    68    69  10.50000 -1.0 2.0
END
