* LIGAND DATABASE FILE (OPLS2005)
*
001      92    92    168    253     500
    1     0 S   NP   _N1_     1    28.61329    96.08863   -23.66293
    2     1 S   H    _HN1     2     1.02787   106.57303   -90.37277
    3     1 S   H    _H1_     3     1.02950    72.65796    14.19252
    4     1 S   H    _H2_     4     1.02829    37.05704   171.70601
    5     1 S   CT   _CA1     5     1.50113   137.04045   115.76561
    6     5 S   HC   _HA1     6     1.09573   105.19274    91.49284
    7     5 S   CO3  _C1_     7     1.53791   112.48827   -28.74844
    8     7 S   O2Z  _O11     8     1.26373   115.00638   -42.02628
    9     7 S   O2Z  _O12     9     1.26243   114.95024   137.12421
   10     5 S   CT   _CB1    10     1.53081   107.42216  -150.50469
   11    10 S   HC   HB11    11     1.09834   109.38016   -49.55748
   12    10 S   HC   HB12    12     1.09813   110.44409    67.05724
   13    10 S   CT   _CG1    13     1.52989   112.60135  -170.52539
   14    13 S   HC   HG11    14     1.09581   110.64465   -65.70952
   15    13 S   HC   HG12    15     1.09671   109.77456    53.52265
   16    13 S   C    _CD1    16     1.51797   112.22071   173.99537
   17    16 S   O    _OE1    17     1.22729   123.27824     7.33468
   18    16 S   N    _N2_    18     1.38655   111.66182  -172.68793
   19    18 S   H    _HN2    19     1.01570   118.93085     1.98702
   20    18 S   CT1  _CA2    20     1.46172   123.41029   177.78036
   21    20 S   HC   _HA2    21     1.09740   109.35527     5.38405
   22    20 S   C    _C2_    22     1.53592   108.95879  -110.22975
   23    22 S   O    _O2_    23     1.23085   122.23110  -148.75615
   24    20 S   CT   _CB2    32     1.53228   111.48555   127.42287
   25    24 S   HC   HB21    33     1.09491   110.10007    55.87405
   26    24 S   HC   HB22    34     1.09362   109.90502   174.79711
   27    22 S   N    _N3_    24     1.38284   113.81756    38.72323
   28    27 S   H    _HN3    25     1.01567   119.62059    -3.27279
   29    24 S   S    _SG2    35     1.82522   111.65305   -65.69236
   30    27 S   CT   _CA3    26     1.45283   123.21130   177.11826
   31    30 S   HC   HA31    27     1.09550   107.51424   -64.37568
   32    30 S   HC   HA32    28     1.09556   107.98569    52.06668
   33    29 S   CT   _C13    36     1.84953    99.33149  -176.32901
   34    33 S   HC   _H3_    37     1.09389   106.42953    39.15844
   35    30 S   CO3  _C3_    29     1.52957   114.06036   174.04553
   36    35 S   O2Z  _O31    30     1.26379   116.06323    -1.17487
   37    35 S   O2Z  _O32    31     1.26427   114.41827   178.88425
   38    33 S   CM   _C8_    38     1.51764   108.65771   154.93709
   39    38 S   HC   _H31    39     1.09014   115.29883   110.64309
   40    33 S   CT   _C16    66     1.56652   111.47166   -78.64121
   41    40 S   HC   _H38    67     1.09678   108.25837    56.00661
   42    38 S   CMA  _C9_    40     1.35848   128.11717   -72.58034
   43    42 S   OM   _O22    41     1.26799   122.95940  -176.09891
   44    40 S   CT   _C22    68     1.54754   113.08580   -59.88220
   45    44 S   HC   _H50    69     1.09421   111.80072   -68.86966
   46    44 S   HC   _H51    70     1.09546   110.86516   171.35278
   47    44 S   HC   _H52    71     1.09319   112.30822    52.91063
   48    42 S   OS   _O24    42     1.41686   111.90769     5.56887
   49    48 S   CT   _C18    43     1.44561   118.16262  -162.09637
   50    49 S   HC   _H40    44     1.09918   110.09051    31.63639
   51    49 S   CT   _C12    45     1.55686   107.25766   148.42361
   52    51 S   HC   _H34    46     1.09723   108.88121    63.09689
   53    49 S   CT   _C24    86     1.54435   109.70953   -88.42555
   54    53 S   HC   _H56    87     1.09556   109.37298    61.95949
   55    53 S   HC   _H57    88     1.09522   110.24220   178.10174
   56    51 S   CM   _C7_    47     1.51290   109.54357   -54.70918
   57    56 S   HC   _H30    48     1.08834   116.71474   -55.08265
   58    51 S   CT   _C19    82     1.52904   112.69864  -176.69767
   59    58 S   HC   _H41    83     1.09573   111.44700    54.54987
   60    58 S   HC   _H42    84     1.09422   111.27380   -66.16710
   61    58 S   HC   _H43    85     1.09612   111.00668   174.72292
   62    53 S   CT   _C23    89     1.52408   114.50016   -58.10538
   63    62 S   HC   _H53    90     1.09353   111.59165   -66.30418
   64    62 S   HC   _H54    91     1.09503   109.84662   174.74141
   65    62 S   HC   _H55    92     1.09417   111.51244    55.33326
   66    56 S   CM   _C6_    49     1.34150   122.87592   119.48401
   67    66 S   HC   _H29    50     1.08711   119.83890     4.10441
   68    66 S   CM   _C4_    51     1.44232   122.35452  -170.02756
   69    68 S   HC   _H27    52     1.08507   115.87696    -1.89527
   70    68 S   CM   _C5_    53     1.33824   122.80185   174.05980
   71    70 S   HC   _H28    54     1.08601   121.76679     5.83210
   72    70 S   CO4  _C10    55     1.49048   122.65067  -171.70040
   73    72 S   O    _O23    56     1.23124   118.15332  -155.35056
   74    72 S   CT   _C14    57     1.53544   119.28490    27.88364
   75    74 S   HC   _H36    58     1.09347   107.44329   -53.81718
   76    74 S   CT   _C11    59     1.54997   110.40081    68.42719
   77    76 S   HC   _H32    60     1.09565   109.44909     0.27836
   78    76 S   HC   _H33    61     1.09714   109.27134   115.39765
   79    74 S   CT   _C20    78     1.53204   110.08025  -169.07883
   80    79 S   HC   _H44    79     1.09575   111.52067   -62.60374
   81    79 S   HC   _H45    80     1.09488   110.83569   176.86675
   82    79 S   HC   _H46    81     1.09561   110.76393    57.14410
   83    76 S   CT   _C15    62     1.55167   114.78606  -122.02625
   84    83 S   HC   _H37    63     1.09456   108.93185    57.77970
   85    83 S   CT   _C17    64     1.55757   112.88155   178.09649
   86    85 S   HC   _H39    65     1.09655   107.94979   175.35734
   87    83 S   CT   _C21    74     1.53933   110.66257   -59.61386
   88    87 S   HC   _H47    75     1.09510   111.54474   -55.67896
   89    87 S   HC   _H48    76     1.09549   110.72467  -176.00649
   90    87 S   HC   _H49    77     1.09366   111.69286    65.10043
   91    85 S   OH   _O25    72     1.43409   108.51710    61.65387
   92    91 S   HO   _H58    73     0.97187   108.04993   -76.19220
  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
  16   7   2   1   1   9   4  14   8   6   2   7   3   2   1  10
  17   8  14   8   8   5   4  10   4   4   2   1   1   3   2   1
   1   6   3   6   3   7   3  11   4  12   8  15   6   5   4   2
   1   1   9   7   7   3   4   2   1   1   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    42    85    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48    83    85    86    40    41    44    45    46    47    91  
   38    39    42    85    40    41    44  
   36    37  
   37  
    0  
   39    42    43    48    49    85    40    41    44  
   42    43    48    40  
   41    44    45    46    47    91    92    87    42    76    83    84    85    86  
   44    45    46    47    91    83    85    86  
   43    48    49    50    51    53  
   48    49  
   45    46    47    91    83    85    86  
   46    47    85  
   47    85  
   85  
   49    50    51    52    56    58    53    54    55    62  
   50    51    52    56    57    66    58    59    60    61    53    54    55    62    63    64    65  
   51    52    56    58    53    54    55    62  
   52    56    57    66    67    68    58    59    60    61    53    54    55    62  
   56    57    66    58    59    60    61    53  
   54    55    62    63    64    65    56    58  
   55    62    63    64    65  
   62    63    64    65  
   57    66    67    68    69    70    58    59    60    61  
   66    67    68    58  
   59    60    61    66  
   60    61  
   61  
    0  
   63    64    65  
   64    65  
   65  
    0  
   67    68    69    70    71    72  
   68    69    70  
   69    70    71    72    73    74  
   70    71    72  
   71    72    73    74    75    76    79  
   72    73    74  
   73    74    75    76    77    78    83    79    80    81    82  
   74    75    76    79  
   75    76    77    78    83    84    85    87    79    80    81    82  
   76    77    78    83    79    80    81    82  
   77    78    83    84    85    86    91    87    88    89    90    79    80    81    82  
   78    83    84    85    87    79  
   83    84    85    87    79  
   80    81    82    83  
   81    82  
   82  
    0  
   84    85    86    91    92    87    88    89    90  
   85    86    91    87    88    89    90  
   86    91    92    87    88    89    90  
   91    92    87  
   88    89    90    91  
   89    90  
   90  
    0  
   92  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   1.5900   1.4000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    48   440.000  1.360
   48    49   320.000  1.410
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    53   268.000  1.529
   51    52   340.000  1.090
   51    56   317.000  1.510
   51    58   268.000  1.529
   56    57   340.000  1.080
   56    66   549.000  1.340
   66    67   340.000  1.080
   66    68   380.000  1.444
   68    69   340.000  1.080
   68    70   549.000  1.340
   70    71   340.000  1.080
   70    72   320.000  1.462
   72    73   570.000  1.229
   72    74   317.000  1.522
   74    75   340.000  1.090
   74    76   268.000  1.529
   74    79   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    83   268.000  1.529
   83    84   340.000  1.090
   83    85   268.000  1.529
   83    87   268.000  1.529
   85    86   340.000  1.090
   85    40   268.000  1.529
   85    91   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   91    92   553.000  0.945
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    85    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    48    80.00000  120.01400
   42    38    39    40.00000  120.50800
   42    48    49    90.00000  111.18400
   48    42    43    65.00000  121.00000
   48    49    50    35.00000  109.50000
   48    49    51    50.00000  109.50000
   48    49    53    50.00000  109.50000
   49    51    52    37.50000  110.70000
   49    51    56    70.00000  112.02700
   49    51    58    58.35000  112.70000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    62    58.35000  112.70000
   51    49    50    37.50000  110.70000
   51    56    57    35.00000  117.00000
   51    56    66    70.00000  124.00000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    61    37.50000  110.70000
   56    51    52    35.00000  109.50000
   56    66    67    35.00000  120.00000
   56    66    68    70.00000  123.01800
   66    56    57    35.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    70    70.00000  123.01800
   68    66    67    35.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    65.00000  118.96000
   70    68    69    35.00000  120.00000
   70    72    73    80.00000  123.72100
   70    72    74    65.00000  118.62400
   72    70    71    40.00000  117.72500
   72    74    75    35.00000  109.50000
   72    74    76    63.00000  111.10000
   72    74    79    63.00000  111.10000
   74    72    73    80.00000  120.40000
   74    76    77    37.50000  110.70000
   74    76    78    37.50000  110.70000
   74    76    83    58.35000  112.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    37.50000  110.70000
   76    74    75    37.50000  110.70000
   76    83    84    37.50000  110.70000
   76    83    85    58.35000  112.70000
   76    83    87    58.35000  112.70000
   78    76    77    33.00000  107.80000
   83    76    77    37.50000  110.70000
   83    76    78    37.50000  110.70000
   83    85    86    37.50000  110.70000
   83    85    40    58.35000  112.70000
   83    85    91    50.00000  109.50000
   83    87    88    37.50000  110.70000
   83    87    89    37.50000  110.70000
   83    87    90    37.50000  110.70000
   85    83    84    37.50000  110.70000
   85    40    41    37.50000  110.70000
   85    40    44    58.35000  112.70000
   85    91    92    55.00000  108.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    85    86    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   91    85    86    35.00000  109.50000
   91    85    40    50.00000  109.50000
   87    83    84    37.50000  110.70000
   87    83    85    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   79    74    75    37.50000  110.70000
   79    74    76    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    56    70.00000  112.02700
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    58.35000  112.70000
   53    62    63    37.50000  110.70000
   53    62    64    37.50000  110.70000
   53    62    65    37.50000  110.70000
   55    53    54    33.00000  107.80000
   62    53    54    37.50000  110.70000
   62    53    55    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    85   0.44750  1.0 1.0
   29    33    40    85  -0.17800 -1.0 2.0
   29    33    40    85   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    48   7.00000 -1.0 2.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    47   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    85   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   38    33    40    85   0.34400  1.0 1.0
   38    33    40    85   0.09450 -1.0 2.0
   38    33    40    85   0.11100  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.34400  1.0 1.0
   38    33    40    44   0.09450 -1.0 2.0
   38    33    40    44   0.11100  1.0 3.0
   38    42    48    49  -2.26850  1.0 1.0
   38    42    48    49   3.39050 -1.0 2.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    48   7.00000 -1.0 2.0
   42    48    49    50   0.08050  1.0 3.0
   42    48    49    51  -0.46850  1.0 1.0
   42    48    49    51   0.09300 -1.0 2.0
   42    48    49    51  -0.12850  1.0 3.0
   42    48    49    53  -0.46850  1.0 1.0
   42    48    49    53   0.09300 -1.0 2.0
   42    48    49    53  -0.12850  1.0 3.0
   43    42    48    49   2.00000 -1.0 2.0
   48    49    51    52   0.23400  1.0 3.0
   48    49    51    56   0.61850  1.0 1.0
   48    49    51    56  -0.22750 -1.0 2.0
   48    49    51    56   0.15300  1.0 3.0
   48    49    51    58   0.62750  1.0 1.0
   48    49    51    58  -0.30950 -1.0 2.0
   48    49    51    58   0.27300  1.0 3.0
   48    49    53    54   0.23400  1.0 3.0
   48    49    53    55   0.23400  1.0 3.0
   48    49    53    62   0.62750  1.0 1.0
   48    49    53    62  -0.30950 -1.0 2.0
   48    49    53    62   0.27300  1.0 3.0
   49    51    56    57   0.00000  1.0 1.0
   49    51    56    66   0.09850  1.0 1.0
   49    51    56    66   0.15250 -1.0 2.0
   49    51    56    66  -0.50650  1.0 3.0
   49    51    58    59   0.15000  1.0 3.0
   49    51    58    60   0.15000  1.0 3.0
   49    51    58    61   0.15000  1.0 3.0
   49    53    62    63   0.15000  1.0 3.0
   49    53    62    64   0.15000  1.0 3.0
   49    53    62    65   0.15000  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    56   0.15000  1.0 3.0
   50    49    51    58   0.15000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    55   0.15000  1.0 3.0
   50    49    53    62   0.15000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    55   0.15000  1.0 3.0
   51    49    53    62   0.56750  1.0 1.0
   51    49    53    62  -0.07550 -1.0 2.0
   51    49    53    62   0.20000  1.0 3.0
   51    56    66    67   7.00000 -1.0 2.0
   51    56    66    68   7.00000 -1.0 2.0
   52    51    56    57   0.33100  1.0 3.0
   52    51    56    66   0.00000  1.0 1.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    61   0.15000  1.0 3.0
   56    51    58    59   0.15000  1.0 3.0
   56    51    58    60   0.15000  1.0 3.0
   56    51    58    61   0.15000  1.0 3.0
   56    66    68    69  -0.18600  1.0 3.0
   56    66    68    70   0.28850  1.0 1.0
   56    66    68    70   2.61350 -1.0 2.0
   56    66    68    70   0.78400  1.0 3.0
   57    56    66    67   7.00000 -1.0 2.0
   57    56    66    68   7.00000 -1.0 2.0
   66    68    70    71   7.00000 -1.0 2.0
   66    68    70    72   7.00000 -1.0 2.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    70  -0.18600  1.0 3.0
   68    70    72    73   1.00000 -1.0 2.0
   68    70    72    74  -0.33500  1.0 1.0
   68    70    72    74   1.06600 -1.0 2.0
   68    70    72    74  -0.14000  1.0 3.0
   69    68    70    71   7.00000 -1.0 2.0
   69    68    70    72   7.00000 -1.0 2.0
   70    72    74    75   0.00000  1.0 1.0
   70    72    74    76   0.65300  1.0 1.0
   70    72    74    76  -0.03850 -1.0 2.0
   70    72    74    76   0.33900  1.0 3.0
   70    72    74    79   0.65300  1.0 1.0
   70    72    74    79  -0.03850 -1.0 2.0
   70    72    74    79   0.33900  1.0 3.0
   71    70    72    73   0.00000  1.0 1.0
   71    70    72    74   0.04550  1.0 1.0
   71    70    72    74   0.83000 -1.0 2.0
   71    70    72    74  -0.04000  1.0 3.0
   72    74    76    77  -0.11250  1.0 3.0
   72    74    76    78  -0.11250  1.0 3.0
   72    74    76    83  -0.95700  1.0 1.0
   72    74    76    83  -0.18200 -1.0 2.0
   72    74    76    83   0.29450  1.0 3.0
   72    74    79    80  -0.11250  1.0 3.0
   72    74    79    81  -0.11250  1.0 3.0
   72    74    79    82  -0.11250  1.0 3.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    76   0.30150 -1.0 2.0
   73    72    74    79   0.30150 -1.0 2.0
   74    76    83    84   0.15000  1.0 3.0
   74    76    83    85   0.56750  1.0 1.0
   74    76    83    85  -0.07550 -1.0 2.0
   74    76    83    85   0.20000  1.0 3.0
   74    76    83    87   0.56750  1.0 1.0
   74    76    83    87  -0.07550 -1.0 2.0
   74    76    83    87   0.20000  1.0 3.0
   75    74    76    77   0.15000  1.0 3.0
   75    74    76    78   0.15000  1.0 3.0
   75    74    76    83   0.15000  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    82   0.15000  1.0 3.0
   76    74    79    80   0.15000  1.0 3.0
   76    74    79    81   0.15000  1.0 3.0
   76    74    79    82   0.15000  1.0 3.0
   76    83    85    86   0.15000  1.0 3.0
   76    83    85    40   0.56750  1.0 1.0
   76    83    85    40  -0.07550 -1.0 2.0
   76    83    85    40   0.20000  1.0 3.0
   76    83    85    91   0.86500  1.0 1.0
   76    83    85    91  -0.17500 -1.0 2.0
   76    83    85    91   0.20800  1.0 3.0
   76    83    87    88   0.15000  1.0 3.0
   76    83    87    89   0.15000  1.0 3.0
   76    83    87    90   0.15000  1.0 3.0
   77    76    83    84   0.15000  1.0 3.0
   77    76    83    85   0.15000  1.0 3.0
   77    76    83    87   0.15000  1.0 3.0
   78    76    83    84   0.15000  1.0 3.0
   78    76    83    85   0.15000  1.0 3.0
   78    76    83    87   0.15000  1.0 3.0
   83    85    40    33   0.56750  1.0 1.0
   83    85    40    33  -0.07550 -1.0 2.0
   83    85    40    33   0.20000  1.0 3.0
   83    85    40    41   0.15000  1.0 3.0
   83    85    40    44   0.56750  1.0 1.0
   83    85    40    44  -0.07550 -1.0 2.0
   83    85    40    44   0.20000  1.0 3.0
   83    85    91    92  -0.11600  1.0 1.0
   83    85    91    92  -0.09450 -1.0 2.0
   83    85    91    92   0.21250  1.0 3.0
   84    83    85    86   0.15000  1.0 3.0
   84    83    85    40   0.15000  1.0 3.0
   84    83    85    91   0.23400  1.0 3.0
   84    83    87    88   0.15000  1.0 3.0
   84    83    87    89   0.15000  1.0 3.0
   84    83    87    90   0.15000  1.0 3.0
   85    83    87    88   0.15000  1.0 3.0
   85    83    87    89   0.15000  1.0 3.0
   85    83    87    90   0.15000  1.0 3.0
   85    40    44    45   0.15000  1.0 3.0
   85    40    44    46   0.15000  1.0 3.0
   85    40    44    47   0.15000  1.0 3.0
   86    85    40    33   0.15000  1.0 3.0
   86    85    40    41   0.15000  1.0 3.0
   86    85    40    44   0.15000  1.0 3.0
   86    85    91    92   0.19450  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   40    85    91    92  -0.11600  1.0 1.0
   40    85    91    92  -0.09450 -1.0 2.0
   40    85    91    92   0.21250  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   91    85    40    33   0.86500  1.0 1.0
   91    85    40    33  -0.17500 -1.0 2.0
   91    85    40    33   0.20800  1.0 3.0
   91    85    40    41   0.23400  1.0 3.0
   91    85    40    44   0.86500  1.0 1.0
   91    85    40    44  -0.17500 -1.0 2.0
   91    85    40    44   0.20800  1.0 3.0
   87    83    85    86   0.15000  1.0 3.0
   87    83    85    40   0.56750  1.0 1.0
   87    83    85    40  -0.07550 -1.0 2.0
   87    83    85    40   0.20000  1.0 3.0
   87    83    85    91   0.86500  1.0 1.0
   87    83    85    91  -0.17500 -1.0 2.0
   87    83    85    91   0.20800  1.0 3.0
   79    74    76    77   0.15000  1.0 3.0
   79    74    76    78   0.15000  1.0 3.0
   79    74    76    83   0.56750  1.0 1.0
   79    74    76    83  -0.07550 -1.0 2.0
   79    74    76    83   0.20000  1.0 3.0
   58    51    56    57   0.00000  1.0 1.0
   58    51    56    66   0.09850  1.0 1.0
   58    51    56    66   0.15250 -1.0 2.0
   58    51    56    66  -0.50650  1.0 3.0
   53    49    51    52   0.15000  1.0 3.0
   53    49    51    56   0.34400  1.0 1.0
   53    49    51    56   0.09450 -1.0 2.0
   53    49    51    56   0.11100  1.0 3.0
   53    49    51    58   0.56750  1.0 1.0
   53    49    51    58  -0.07550 -1.0 2.0
   53    49    51    58   0.20000  1.0 3.0
   54    53    62    63   0.15000  1.0 3.0
   54    53    62    64   0.15000  1.0 3.0
   54    53    62    65   0.15000  1.0 3.0
   55    53    62    63   0.15000  1.0 3.0
   55    53    62    64   0.15000  1.0 3.0
   55    53    62    65   0.15000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   43    48    42    38   1.10000 -1.0 2.0
   51    57    56    66   1.10000 -1.0 2.0
   68    67    66    56   1.10000 -1.0 2.0
   66    69    68    70   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   70    74    72    73  10.50000 -1.0 2.0
END
