* LIGAND DATABASE FILE (OPLS2005)
*
001      89    89    164    250     486
    1     0 S   NP   _N1_     1    28.89435    93.66574   -19.37358
    2     1 S   H    _HN1     2     1.02781    77.49506   -74.35458
    3     1 S   H    _H1_     3     1.02966   105.64989    31.40711
    4     1 S   H    _H2_     4     1.02840    32.95333   128.76564
    5     1 S   CT   _CA1     5     1.50085   136.36200   176.45100
    6     5 S   HC   _HA1     6     1.09574   105.30762    33.74813
    7     5 S   CO3  _C1_     7     1.53838   112.27882   -86.55778
    8     7 S   O2Z  _O11     8     1.26344   115.04403   -47.32351
    9     7 S   O2Z  _O12     9     1.26238   114.90468   131.97429
   10     5 S   CT   _CB1    10     1.53092   107.43381   151.64174
   11    10 S   HC   HB11    11     1.09816   109.47739   -51.29684
   12    10 S   HC   HB12    12     1.09826   110.34705    65.23598
   13    10 S   CT   _CG1    13     1.52999   112.60690  -172.45839
   14    13 S   HC   HG11    14     1.09593   110.28172   -58.90479
   15    13 S   HC   HG12    15     1.09615   110.23163    60.25742
   16    13 S   C    _CD1    16     1.51779   112.09639  -179.45356
   17    16 S   O    _OE1    17     1.22719   123.18409   -14.34972
   18    16 S   N    _N2_    18     1.38541   111.66107   166.11461
   19    18 S   H    _HN2    19     1.01597   119.00754     1.59520
   20    18 S   CT1  _CA2    20     1.46196   123.50043  -176.50111
   21    20 S   HC   _HA2    21     1.09696   109.46023   -18.44195
   22    20 S   C    _C2_    22     1.53465   108.49931  -134.70195
   23    22 S   O    _O2_    23     1.23027   122.20005  -148.10590
   24    20 S   CT   _CB2    32     1.53441   110.95740   103.95057
   25    24 S   HC   HB21    33     1.09344   108.85086    54.69421
   26    24 S   HC   HB22    34     1.09528   110.63271   172.45837
   27    22 S   N    _N3_    24     1.38457   113.58632    39.18185
   28    27 S   H    _HN3    25     1.01526   118.99878     0.15195
   29    24 S   S    _SG2    35     1.83322   112.32540   -68.45211
   30    27 S   CT   _CA3    26     1.45437   123.13731   175.93543
   31    30 S   HC   HA31    27     1.09557   108.99427    29.05156
   32    30 S   HC   HA32    28     1.09490   107.18208   145.97422
   33    29 S   CT   _C12    36     1.87144   101.65756   139.47448
   34    30 S   CO3  _C3_    29     1.52914   113.26597   -94.28412
   35    34 S   O2Z  _O31    30     1.26394   115.43844   -44.19301
   36    34 S   O2Z  _O32    31     1.26363   114.95300   136.77435
   37    33 S   CT   _C13    37     1.54769   109.50431   -71.56956
   38    37 S   HC   _H18    38     1.09895   110.12249   166.94000
   39    37 S   HC   _H19    39     1.09437   114.60075    46.66250
   40    33 S   CM   _C11    66     1.51735   107.39259    55.91428
   41    40 S   HC   _H17    67     1.08961   115.98437    66.22859
   42    37 S   CT   _C14    40     1.52679   105.89313   -76.38890
   43    42 S   HC   _H20    41     1.09231   111.60832  -149.31426
   44    42 S   HC   _H21    42     1.09274   112.03514    86.06671
   45    40 S   CM   _C10    68     1.34294   126.49118  -111.46814
   46    45 S   HC   _H16    69     1.08650   120.03869    -0.72145
   47    42 S   CO4  _C15    43     1.50598   101.91021   -30.69686
   48    47 S   O    _O33    44     1.22478   123.07917  -171.59216
   49    45 S   CT   _C9_    70     1.50269   123.53900   176.22452
   50    49 S   HC   _H3_    71     1.09676   110.49281    23.91216
   51    33 S   CT   _C16    45     1.56270   111.92804   176.89222
   52    51 S   HC   _H4_    46     1.10048   108.43458  -167.07529
   53    49 S   CT   _C8_    72     1.53628   112.63129   -97.41857
   54    53 S   HC   _H14    73     1.09753   109.15668    64.01228
   55    53 S   HC   _H15    74     1.09767   108.42016  -179.67016
   56    49 S   OH   _O36    88     1.42519   108.95182   141.13961
   57    56 S   HO   _H32    89     0.97272   107.42094   -60.80473
   58    51 S   CT   _C17    47     1.53384   116.96127   -42.17990
   59    58 S   HC   _H22    48     1.09732   110.93806    78.50922
   60    58 S   HC   _H23    49     1.09525   110.84532   -39.03523
   61    53 S   CT   _C7_    75     1.53498   114.57258   -58.87289
   62    61 S   HC   _H12    76     1.09632   109.94198   -59.59078
   63    61 S   HC   _H13    77     1.09559   110.11098    58.35748
   64    58 S   CM   _C18    50     1.50549   112.09593  -161.58235
   65    64 S   HC   _H24    51     1.08845   115.91995   -86.68344
   66    61 S   CT   _C6_    78     1.53064   111.15507   178.92644
   67    66 S   HC   _H10    79     1.09671   109.55143   -55.72200
   68    66 S   HC   _H11    80     1.09671   109.63550    61.53523
   69    64 S   CM   _C19    52     1.34228   126.39519    94.73945
   70    69 S   HC   _H25    53     1.08854   117.66625   178.50367
   71    66 S   CT   _C5_    81     1.52864   111.27944  -176.91460
   72    71 S   HC   _H8_    82     1.09615   109.82719   -60.55564
   73    71 S   HC   _H9_    83     1.09634   109.91951    57.17161
   74    69 S   CT   _C20    54     1.50214   126.65379    -3.36284
   75    74 S   HC   _H26    55     1.09630   107.90496  -130.73450
   76    74 S   HC   _H27    56     1.09494   111.33679   -14.92835
   77    71 S   CT   _C4_    84     1.52019   111.50356   178.17244
   78    77 S   HC   _H5_    85     1.09480   110.96994   -60.52914
   79    77 S   HC   _H6_    86     1.09462   111.01787    60.01839
   80    77 S   HC   _H7_    87     1.09448   110.25556   179.80820
   81    74 S   CT   _C21    57     1.53058   111.37652   108.07457
   82    81 S   HC   _H28    58     1.09705   110.03757    59.74036
   83    81 S   HC   _H29    59     1.09765   109.30814   -56.98562
   84    81 S   CT   _C22    60     1.52647   112.12911  -177.10734
   85    84 S   HC   _H30    61     1.09719   108.62209   172.48284
   86    84 S   HC   _H31    62     1.09726   109.38689    56.31579
   87    84 S   CO3  _C23    63     1.53171   116.09089   -67.63497
   88    87 S   O2Z  _O35    64     1.26173   116.24525   -27.16532
   89    87 S   O2Z  _O34    65     1.26447   114.32697   153.47477
  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  12   5   4   3
  19   2   1   1  13   7   6  12   4   7   4   3  10   4   7   3
  10   6   7   4  11   6   5   2   1   7   4   3   9   5   4   7
   3   9   5   4   8   4   6   5   4   9   5   4   3   2   1   1
   8   5   4   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    47    51    52    58    40    41    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    44    47    48    51    52    58    59    60    64    40    41    45    46    49  
   35    36  
   36  
    0  
   38    39    42    43    44    47    48    51    52    58    40    41    45  
   39    42    43    44    47    51    40  
   42    43    44    47    51    40  
   41    45    46    49    50    53    56    42    47    51    52    58  
   45    46    49    51  
   43    44    47    48    51    52    58  
   44    47    48    51  
   47    48    51  
   46    49    50    53    54    55    61    56    57    51  
   49    50    53    56  
   48    51    52    58    59    60    64  
   51    52    58  
   50    53    54    55    61    62    63    66    56    57  
   53    54    55    61    56    57  
   52    58    59    60    64    65    69  
   58    59    60    64  
   54    55    61    62    63    66    67    68    71    56    57  
   55    61    62    63    66    56  
   61    62    63    66    56  
   57    61  
    0  
   59    60    64    65    69    70    74  
   60    64    65    69  
   64    65    69  
   62    63    66    67    68    71    72    73    77  
   63    66    67    68    71  
   66    67    68    71  
   65    69    70    74    75    76    81  
   69    70    74  
   67    68    71    72    73    77    78    79    80  
   68    71    72    73    77  
   71    72    73    77  
   70    74    75    76    81    82    83    84  
   74    75    76    81  
   72    73    77    78    79    80  
   73    77    78    79    80  
   77    78    79    80  
   75    76    81    82    83    84    85    86    87  
   76    81    82    83    84  
   81    82    83    84  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85    86    87    88    89  
   83    84    85    86    87  
   84    85    86    87  
   85    86    87    88    89  
   86    87    88    89  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   89   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    51   268.000  1.529
   33    40   317.000  1.510
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   317.000  1.522
   47    48   570.000  1.229
   47    51   317.000  1.522
   51    52   340.000  1.090
   51    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   317.000  1.510
   64    65   340.000  1.080
   64    69   549.000  1.340
   69    70   340.000  1.080
   69    74   317.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   317.000  1.522
   87    88   656.000  1.250
   87    89   656.000  1.250
   40    41   340.000  1.080
   40    45   549.000  1.340
   45    46   340.000  1.080
   45    49   317.000  1.510
   49    50   340.000  1.090
   49    53   268.000  1.529
   49    56   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   56    57   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    51    75.00000  111.63000
   29    33    40    75.00000  112.20000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    51    47    63.00000  111.10000
   33    51    52    37.50000  110.70000
   33    51    58    58.35000  112.70000
   33    40    41    35.00000  117.00000
   33    40    45    70.00000  124.00000
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    47    63.00000  111.10000
   39    37    38    33.00000  107.80000
   42    37    38    37.50000  110.70000
   42    37    39    37.50000  110.70000
   42    47    48    80.00000  120.40000
   42    47    51    70.00000  116.00000
   44    42    43    33.00000  107.80000
   47    42    43    35.00000  109.50000
   47    42    44    35.00000  109.50000
   47    51    52    35.00000  109.50000
   47    51    58    63.00000  111.10000
   51    33    37    58.35000  112.70000
   51    47    48    80.00000  120.40000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    64    70.00000  112.02700
   58    51    52    37.50000  110.70000
   58    64    65    35.00000  117.00000
   58    64    69    70.00000  124.00000
   60    58    59    33.00000  107.80000
   64    58    59    35.00000  109.50000
   64    58    60    35.00000  109.50000
   64    69    70    35.00000  120.00000
   64    69    74    70.00000  124.00000
   69    64    65    35.00000  120.00000
   69    74    75    35.00000  109.50000
   69    74    76    35.00000  109.50000
   69    74    81    70.00000  112.02700
   74    69    70    35.00000  117.00000
   74    81    82    37.50000  110.70000
   74    81    83    37.50000  110.70000
   74    81    84    58.35000  112.70000
   76    74    75    33.00000  107.80000
   81    74    75    37.50000  110.70000
   81    74    76    37.50000  110.70000
   81    84    85    37.50000  110.70000
   81    84    86    37.50000  110.70000
   81    84    87    70.00000  109.69300
   83    81    82    33.00000  107.80000
   84    81    82    37.50000  110.70000
   84    81    83    37.50000  110.70000
   84    87    88    70.00000  117.00000
   84    87    89    70.00000  117.00000
   86    84    85    33.00000  107.80000
   87    84    85    35.00000  109.50000
   87    84    86    35.00000  109.50000
   89    87    88    80.00000  126.00000
   40    33    37    70.00000  112.02700
   40    33    51    70.00000  112.02700
   40    45    46    35.00000  120.00000
   40    45    49    70.00000  124.00000
   45    40    41    35.00000  120.00000
   45    49    50    35.00000  109.50000
   45    49    53    70.00000  112.02700
   45    49    56    90.00000  110.39200
   49    45    46    35.00000  117.00000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    61    58.35000  112.70000
   49    56    57    55.00000  108.50000
   53    49    50    37.50000  110.70000
   53    61    62    37.50000  110.70000
   53    61    63    37.50000  110.70000
   53    61    66    58.35000  112.70000
   55    53    54    33.00000  107.80000
   61    53    54    37.50000  110.70000
   61    53    55    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    71    58.35000  112.70000
   63    61    62    33.00000  107.80000
   66    61    62    37.50000  110.70000
   66    61    63    37.50000  110.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    77    58.35000  112.70000
   68    66    67    33.00000  107.80000
   71    66    67    37.50000  110.70000
   71    66    68    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    79    37.50000  110.70000
   71    77    80    37.50000  110.70000
   73    71    72    33.00000  107.80000
   77    71    72    37.50000  110.70000
   77    71    73    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   56    49    50    35.00000  109.50000
   56    49    53    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    51    47   0.56750  1.0 1.0
   29    33    51    47  -0.07550 -1.0 2.0
   29    33    51    47   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    58   0.44750  1.0 1.0
   29    33    51    58  -0.17800 -1.0 2.0
   29    33    51    58   0.20200  1.0 3.0
   29    33    40    41   0.00000  1.0 1.0
   29    33    40    45   0.42700  1.0 1.0
   29    33    40    45  -0.70350 -1.0 2.0
   29    33    40    45  -0.43150  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37    42    44   0.15000  1.0 3.0
   33    37   -42    47  -0.95700  1.0 1.0
   33    37   -42    47  -0.18200 -1.0 2.0
   33    37   -42    47   0.29450  1.0 3.0
   33    51    58    59   0.15000  1.0 3.0
   33    51    58    60   0.15000  1.0 3.0
   33    51    58    64   0.34400  1.0 1.0
   33    51    58    64   0.09450 -1.0 2.0
   33    51    58    64   0.11100  1.0 3.0
   33    40    45    46   7.00000 -1.0 2.0
   33    40    45    49   7.00000 -1.0 2.0
   37    33   -51    47  -0.95700  1.0 1.0
   37    33   -51    47  -0.18200 -1.0 2.0
   37    33   -51    47   0.29450  1.0 3.0
   37    33    51    52   0.15000  1.0 3.0
   37    33    51    58   0.56750  1.0 1.0
   37    33    51    58  -0.07550 -1.0 2.0
   37    33    51    58   0.20000  1.0 3.0
   37    33    40    41   0.00000  1.0 1.0
   37    33    40    45   0.09850  1.0 1.0
   37    33    40    45   0.15250 -1.0 2.0
   37    33    40    45  -0.50650  1.0 3.0
   37    42    47    48   0.30150 -1.0 2.0
   37    42   -47    51   0.60050  1.0 1.0
   37    42   -47    51   0.05600 -1.0 2.0
   37    42   -47    51   0.26150  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    44   0.15000  1.0 3.0
   38    37    42    47  -0.11250  1.0 3.0
   39    37    42    43   0.15000  1.0 3.0
   39    37    42    44   0.15000  1.0 3.0
   39    37    42    47  -0.11250  1.0 3.0
   42    47   -51    33   0.60050  1.0 1.0
   42    47   -51    33   0.05600 -1.0 2.0
   42    47   -51    33   0.26150  1.0 3.0
   42    47    51    52   0.00000  1.0 1.0
   42    47    51    58   0.60050  1.0 1.0
   42    47    51    58   0.05600 -1.0 2.0
   42    47    51    58   0.26150  1.0 3.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    51   0.00000  1.0 1.0
   44    42    47    48   0.00000  1.0 1.0
   44    42    47    51   0.00000  1.0 1.0
   47    51    58    59  -0.11250  1.0 3.0
   47    51    58    60  -0.11250  1.0 3.0
   47    51    58    64  -0.98800  1.0 1.0
   47    51    58    64   0.48800 -1.0 2.0
   47    51    58    64   0.76800  1.0 3.0
   48    47    51    33   0.30150 -1.0 2.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    58   0.30150 -1.0 2.0
   51    33    37    38   0.15000  1.0 3.0
   51    33    37    39   0.15000  1.0 3.0
   51    33   -37    42   0.56750  1.0 1.0
   51    33   -37    42  -0.07550 -1.0 2.0
   51    33   -37    42   0.20000  1.0 3.0
   51    33    40    41   0.00000  1.0 1.0
   51    33    40    45   0.09850  1.0 1.0
   51    33    40    45   0.15250 -1.0 2.0
   51    33    40    45  -0.50650  1.0 3.0
   51    58    64    65   0.00000  1.0 1.0
   51    58    64    69   0.09850  1.0 1.0
   51    58    64    69   0.15250 -1.0 2.0
   51    58    64    69  -0.50650  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    64   0.15000  1.0 3.0
   58    64    69    70   7.00000 -1.0 2.0
   58    64    69    74   7.00000 -1.0 2.0
   59    58    64    65   0.33100  1.0 3.0
   59    58    64    69   0.00000  1.0 1.0
   60    58    64    65   0.33100  1.0 3.0
   60    58    64    69   0.00000  1.0 1.0
   64    69    74    75   0.00000  1.0 1.0
   64    69    74    76   0.00000  1.0 1.0
   64    69    74    81   0.09850  1.0 1.0
   64    69    74    81   0.15250 -1.0 2.0
   64    69    74    81  -0.50650  1.0 3.0
   65    64    69    70   7.00000 -1.0 2.0
   65    64    69    74   7.00000 -1.0 2.0
   69    74    81    82   0.15000  1.0 3.0
   69    74    81    83   0.15000  1.0 3.0
   69    74    81    84   0.34400  1.0 1.0
   69    74    81    84   0.09450 -1.0 2.0
   69    74    81    84   0.11100  1.0 3.0
   70    69    74    75   0.33100  1.0 3.0
   70    69    74    76   0.33100  1.0 3.0
   70    69    74    81   0.00000  1.0 1.0
   74    81    84    85   0.15000  1.0 3.0
   74    81    84    86   0.15000  1.0 3.0
   74    81    84    87  -1.63150  1.0 1.0
   74    81    84    87  -0.43550 -1.0 2.0
   74    81    84    87   0.24500  1.0 3.0
   75    74    81    82   0.15000  1.0 3.0
   75    74    81    83   0.15000  1.0 3.0
   75    74    81    84   0.15000  1.0 3.0
   76    74    81    82   0.15000  1.0 3.0
   76    74    81    83   0.15000  1.0 3.0
   76    74    81    84   0.15000  1.0 3.0
   81    84    87    88   0.41150 -1.0 2.0
   81    84    87    89   0.41150 -1.0 2.0
   82    81    84    85   0.15000  1.0 3.0
   82    81    84    86   0.15000  1.0 3.0
   82    81    84    87  -0.11250  1.0 3.0
   83    81    84    85   0.15000  1.0 3.0
   83    81    84    86   0.15000  1.0 3.0
   83    81    84    87  -0.11250  1.0 3.0
   85    84    87    88   0.00000  1.0 1.0
   85    84    87    89   0.00000  1.0 1.0
   86    84    87    88   0.00000  1.0 1.0
   86    84    87    89   0.00000  1.0 1.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42   0.34400  1.0 1.0
   40    33    37    42   0.09450 -1.0 2.0
   40    33    37    42   0.11100  1.0 3.0
   40    33    51    47  -0.98800  1.0 1.0
   40    33    51    47   0.48800 -1.0 2.0
   40    33    51    47   0.76800  1.0 3.0
   40    33    51    52   0.15000  1.0 3.0
   40    33    51    58   0.34400  1.0 1.0
   40    33    51    58   0.09450 -1.0 2.0
   40    33    51    58   0.11100  1.0 3.0
   40    45    49    50   0.00000  1.0 1.0
   40    45    49    53   0.09850  1.0 1.0
   40    45    49    53   0.15250 -1.0 2.0
   40    45    49    53  -0.50650  1.0 3.0
   40    45    49    56   0.67800  1.0 1.0
   40    45    49    56   0.47050 -1.0 2.0
   40    45    49    56  -0.62500  1.0 3.0
   41    40    45    46   7.00000 -1.0 2.0
   41    40    45    49   7.00000 -1.0 2.0
   45    49    53    54   0.15000  1.0 3.0
   45    49    53    55   0.15000  1.0 3.0
   45    49    53    61   0.34400  1.0 1.0
   45    49    53    61   0.09450 -1.0 2.0
   45    49    53    61   0.11100  1.0 3.0
   45    49    56    57  -0.07800  1.0 1.0
   45    49    56    57  -0.21500 -1.0 2.0
   45    49    56    57  -0.03150  1.0 3.0
   46    45    49    50   0.33100  1.0 3.0
   46    45    49    53   0.00000  1.0 1.0
   46    45    49    56   0.00000  1.0 1.0
   49    53    61    62   0.15000  1.0 3.0
   49    53    61    63   0.15000  1.0 3.0
   49    53    61    66   0.56750  1.0 1.0
   49    53    61    66  -0.07550 -1.0 2.0
   49    53    61    66   0.20000  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    61   0.15000  1.0 3.0
   50    49    56    57   0.19450  1.0 3.0
   53    49    56    57  -0.11600  1.0 1.0
   53    49    56    57  -0.09450 -1.0 2.0
   53    49    56    57   0.21250  1.0 3.0
   53    61    66    67   0.15000  1.0 3.0
   53    61    66    68   0.15000  1.0 3.0
   53    61    66    71   0.56750  1.0 1.0
   53    61    66    71  -0.07550 -1.0 2.0
   53    61    66    71   0.20000  1.0 3.0
   54    53    61    62   0.15000  1.0 3.0
   54    53    61    63   0.15000  1.0 3.0
   54    53    61    66   0.15000  1.0 3.0
   55    53    61    62   0.15000  1.0 3.0
   55    53    61    63   0.15000  1.0 3.0
   55    53    61    66   0.15000  1.0 3.0
   61    66    71    72   0.15000  1.0 3.0
   61    66    71    73   0.15000  1.0 3.0
   61    66    71    77   0.56750  1.0 1.0
   61    66    71    77  -0.07550 -1.0 2.0
   61    66    71    77   0.20000  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    68   0.15000  1.0 3.0
   62    61    66    71   0.15000  1.0 3.0
   63    61    66    67   0.15000  1.0 3.0
   63    61    66    68   0.15000  1.0 3.0
   63    61    66    71   0.15000  1.0 3.0
   66    71    77    78   0.15000  1.0 3.0
   66    71    77    79   0.15000  1.0 3.0
   66    71    77    80   0.15000  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    77   0.15000  1.0 3.0
   68    66    71    72   0.15000  1.0 3.0
   68    66    71    73   0.15000  1.0 3.0
   68    66    71    77   0.15000  1.0 3.0
   72    71    77    78   0.15000  1.0 3.0
   72    71    77    79   0.15000  1.0 3.0
   72    71    77    80   0.15000  1.0 3.0
   73    71    77    78   0.15000  1.0 3.0
   73    71    77    79   0.15000  1.0 3.0
   73    71    77    80   0.15000  1.0 3.0
   56    49    53    54   0.23400  1.0 3.0
   56    49    53    55   0.23400  1.0 3.0
   56    49    53    61   0.86500  1.0 1.0
   56    49    53    61  -0.17500 -1.0 2.0
   56    49    53    61   0.20800  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
   35    30    34    36  10.50000 -1.0 2.0
   42    51    47    48  10.50000 -1.0 2.0
   58    65    64    69  15.00000 -1.0 2.0
   74    70    69    64  15.00000 -1.0 2.0
   88    84    87    89  10.50000 -1.0 2.0
   33    41    40    45  15.00000 -1.0 2.0
   49    46    45    40  15.00000 -1.0 2.0
END
