* LIGAND DATABASE FILE (OPLS2005)
*
001      87    87    151    220     436
    1     0 S   NP   _N1_     1    30.08651   103.03625   -20.17300
    2     1 S   H    _HN1     2     1.02786   107.17398  -111.22326
    3     1 S   H    _H1_     3     1.02955    35.97204   -13.57198
    4     1 S   H    _H2_     4     1.02838    73.54030   144.69682
    5     1 S   CT   _CA1     5     1.50062   136.02953    41.59303
    6     5 S   HC   _HA1     6     1.09597   105.20552   146.55363
    7     5 S   CO3  _C1_     7     1.53878   112.43113    26.64988
    8     7 S   O2Z  _O11     8     1.26337   114.99412   -47.43918
    9     7 S   O2Z  _O12     9     1.26329   114.99266   131.83330
   10     5 S   CT   _CB1    10     1.53210   107.40435   -95.87984
   11    10 S   HC   HB11    11     1.09805   109.35438   -54.23583
   12    10 S   HC   HB12    12     1.09804   110.54196    62.48149
   13    10 S   CT   _CG1    13     1.52788   112.20111  -175.39913
   14    13 S   HC   HG11    14     1.09356   109.66584   -67.86122
   15    13 S   HC   HG12    15     1.09658   109.94175    51.18439
   16    13 S   C    _CD1    16     1.51656   113.15872   172.58061
   17    16 S   O    _OE1    17     1.22716   123.35495     8.23435
   18    16 S   N    _N2_    18     1.38550   111.44687  -172.19284
   19    18 S   H    _HN2    19     1.01587   119.04059     3.30251
   20    18 S   CT1  _CA2    20     1.45728   123.16077   177.88845
   21    20 S   HC   _HA2    21     1.09720   108.76864    31.06327
   22    20 S   C    _C2_    22     1.53017   106.97953   -86.00059
   23    22 S   O    _O2_    23     1.22986   123.15983   -27.14014
   24    20 S   CT   _CB2    32     1.53187   112.03603   154.68325
   25    24 S   HC   HB21    33     1.09344   109.77666    53.57755
   26    24 S   HC   HB22    34     1.09561   110.31871   171.02478
   27    22 S   N    _N3_    24     1.38541   112.52204   155.36040
   28    27 S   H    _HN3    25     1.01650   120.32001    -1.65965
   29    24 S   S    _SG2    35     1.83288   111.32559   -70.66816
   30    27 S   CT   _CA3    26     1.45338   122.44604   178.72007
   31    30 S   HC   HA31    27     1.09568   107.71080   -57.58941
   32    30 S   HC   HA32    28     1.09565   107.68925    58.71588
   33    29 S   CT   _C11    36     1.90993   102.16697   130.04173
   34    33 S   OM   _O40    37     1.32112   106.37220    57.26256
   35    30 S   CO3  _C3_    29     1.52880   114.38463  -179.47586
   36    35 S   O2Z  _O31    30     1.26331   116.10561    -1.33075
   37    35 S   O2Z  _O32    31     1.26450   114.39766   178.68716
   38    33 S   CA   _C12    38     1.56381   108.20813   -68.20318
   39    33 S   CM   _C10    70     1.54003   107.43517   167.12217
   40    39 S   HC   _H10    71     1.09268   114.70851   -19.08642
   41    38 S   CA   _C13    39     1.43647   121.28297   -66.42479
   42    39 S   CMA  _C9_    72     1.35883   129.23806   162.91837
   43    42 S   OM   _O41    73     1.26220   132.20293    -1.33251
   44    41 S   CA   _C14    40     1.41682   120.21537   176.10836
   45    44 S   HA   _H11    41     1.08893   119.37554  -179.15814
   46    41 S   CT   _C18    50     1.51991   125.66076    -2.39016
   47    46 S   HC   _H15    51     1.08738   112.94850    11.63858
   48    46 S   HC   _H16    52     1.09813   108.44485   128.20253
   49    42 S   CT   _C8_    74     1.52294   116.42701   178.45338
   50    49 S   HC   _H8_    75     1.09858   110.40331    40.60753
   51    49 S   HC   _H9_    76     1.09844   113.75348   158.52985
   52    44 S   CA   _C15    42     1.38445   121.51559     0.05595
   53    46 S   CO4  _C19    53     1.52261   114.64217  -111.74847
   54    53 S   O    _O37    54     1.23019   123.22857   -13.85491
   55    49 S   CO4  _C7_    77     1.52338   111.02764   -78.87091
   56    55 S   O    _O34    78     1.23234   120.76999   105.45927
   57    52 S   CA   _C16    43     1.37980   119.93486     1.31700
   58    57 S   HA   _H12    44     1.08659   119.43992   179.80021
   59    52 S   OH   _O36    48     1.36502   121.23013  -177.76822
   60    59 S   HO   _H14    49     0.97651   108.58538    10.01204
   61    53 S   CT   _C20    55     1.51364   115.40976   168.52826
   62    61 S   HC   _H17    56     1.09557   108.41525    58.26173
   63    61 S   HC   _H18    57     1.09440   109.37370   -59.03086
   64    55 S   CT   _C6_    79     1.51424   117.17149   -72.14150
   65    64 S   HC   _H6_    80     1.09493   107.25051    84.96570
   66    64 S   HC   _H7_    81     1.09480   109.45148   -33.13885
   67    38 S   CA   _C17    45     1.42788   123.00950   110.57608
   68    61 S   CO4  _C21    58     1.51261   114.27812   178.81271
   69    68 S   O    _O38    59     1.23083   120.60070   -97.39550
   70    64 S   CO4  _C5_    82     1.51194   115.24292  -153.50755
   71    70 S   O    _O33    83     1.23051   122.56814    30.18641
   72    67 S   OH   _O35    46     1.37462   121.30219     2.25073
   73    72 S   HO   _H13    47     0.97056   109.76416   176.18289
   74    68 S   CT   _C22    60     1.51499   116.65771    79.59212
   75    74 S   HC   _H19    61     1.09517   108.27668    46.45148
   76    74 S   HC   _H20    62     1.09499   106.95320   -71.03916
   77    70 S   CT   _C4_    84     1.50635   116.41726  -152.88483
   78    77 S   HC   _H3_    85     1.09282   109.62249    60.44092
   79    77 S   HC   _H4_    86     1.09272   109.54183   -60.65260
   80    77 S   HC   _H5_    87     1.09356   109.72785   179.73830
   81    74 S   CO4  _C23    63     1.51028   115.48619   166.04560
   82    81 S   O    _O39    64     1.22458   124.13315   -29.02017
   83    81 S   S    _S1_    65     1.76767   113.53495   154.13522
   84    83 S   CT   _C24    66     1.80585   100.31697  -178.68955
   85    84 S   HC   _H21    67     1.09323   109.27475   179.30114
   86    84 S   HC   _H22    68     1.09338   110.52197    59.96088
   87    84 S   HC   _H23    69     1.09337   110.53852   -61.37449
  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   8   5   4   3
  13   6   2   1   1  16   9   3  13   7   4  11   4  10   4   3
   8   4   3   6   7   4   7   4   6   3   2   1   8   4   3   8
   4   3   2   7   4   5   4   1   1   6   4   3   3   2   1   1
   6   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    67    39    40    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    44    57    67    72    46    39    40    42    43    49  
   38    41    67    39    40    42  
   36    37  
   37  
    0  
   41    44    45    52    57    58    67    72    73    46    47    48    53    39    40    42  
   40    42    43    49    50    51    55    41    67  
   42    43    49  
   44    45    52    57    67    72    59    46    47    48    53    54    61  
   43    49    50    51    55    56    64  
   49    50    51    55  
   45    52    57    58    67    59    60    46    47    48    53  
   52    57    59    46  
   47    48    53    54    61    62    63    68    52    67  
   48    53    54    61  
   53    54    61  
   50    51    55    56    64    65    66    70  
   51    55    56    64  
   55    56    64  
   57    58    67    72    59    60  
   54    61    62    63    68    69    74  
   61    62    63    68  
   56    64    65    66    70    71    77  
   64    65    66    70  
   58    67    72    73    59    60  
   67    72    59  
   60    67  
    0  
   62    63    68    69    74    75    76    81  
   63    68    69    74  
   68    69    74  
   65    66    70    71    77    78    79    80  
   66    70    71    77  
   70    71    77  
   72    73  
   69    74    75    76    81    82    83  
   74    75    76    81  
   71    77    78    79    80  
   77    78    79    80  
   73  
    0  
   75    76    81    82    83    84  
   76    81    82    83  
   81    82    83  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85    86    87  
   83    84  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   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   4.2000   0.3000   0.102500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0150   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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   84   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   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   570.000  1.307
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    67   469.000  1.400
   41    44   469.000  1.400
   41    46   317.000  1.510
   44    45   367.000  1.080
   44    52   469.000  1.400
   52    57   469.000  1.400
   52    59   450.000  1.364
   57    58   367.000  1.080
   57    67   469.000  1.400
   67    72   450.000  1.364
   72    73   553.000  0.945
   59    60   553.000  0.945
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    53   317.000  1.522
   53    54   570.000  1.229
   53    61   317.000  1.522
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    68   317.000  1.522
   68    69   570.000  1.229
   68    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    81   317.000  1.522
   81    82   570.000  1.229
   81    83   210.000  1.799
   83    84   222.000  1.810
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   39    40   340.000  1.080
   39    42   465.000  1.376
   42    43   745.000  1.250
   42    49   270.000  1.512
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   317.000  1.522
   55    56   570.000  1.229
   55    64   317.000  1.522
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   317.000  1.522
   70    71   570.000  1.229
   70    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   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    85.00000  114.68000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    67    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    42    70.00000  124.00000
   38    33    34    85.00000  111.85700
   38    41    44    63.00000  120.00000
   38    41    46    70.00000  120.00000
   38    67    57    63.00000  120.00000
   38    67    72    70.00000  120.00000
   41    44    45    35.00000  120.00000
   41    44    52    63.00000  120.00000
   41    46    47    35.00000  109.50000
   41    46    48    35.00000  109.50000
   41    46    53    70.00000  110.93000
   44    52    57    63.00000  120.00000
   44    52    59    70.00000  120.00000
   52    44    45    35.00000  120.00000
   52    57    58    35.00000  120.00000
   52    57    67    63.00000  120.00000
   52    59    60    35.00000  113.00000
   57    67    72    70.00000  120.00000
   67    38    41    63.00000  120.00000
   67    57    58    35.00000  120.00000
   67    72    73    35.00000  113.00000
   59    52    57    70.00000  120.00000
   46    41    44    70.00000  120.00000
   46    53    54    80.00000  120.40000
   46    53    61    70.00000  116.00000
   48    46    47    33.00000  107.80000
   53    46    47    35.00000  109.50000
   53    46    48    35.00000  109.50000
   53    61    62    35.00000  109.50000
   53    61    63    35.00000  109.50000
   53    61    68    75.00000  107.99600
   61    53    54    80.00000  120.40000
   61    68    69    80.00000  120.40000
   61    68    74    70.00000  116.00000
   63    61    62    33.00000  107.80000
   68    61    62    35.00000  109.50000
   68    61    63    35.00000  109.50000
   68    74    75    35.00000  109.50000
   68    74    76    35.00000  109.50000
   68    74    81    75.00000  107.99600
   74    68    69    80.00000  120.40000
   74    81    82    80.00000  120.40000
   74    81    83    70.00000  114.16300
   76    74    75    33.00000  107.80000
   81    74    75    35.00000  109.50000
   81    74    76    35.00000  109.50000
   81    83    84    90.00000   96.72000
   83    81    82    80.00000  121.30200
   83    84    85    35.00000  109.50000
   83    84    86    35.00000  109.50000
   83    84    87    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   39    33    34    85.00000  110.90400
   39    33    38    70.00000  112.99600
   39    42    43    65.00000  137.10300
   39    42    49    65.00000  122.18000
   42    39    40    40.00000  120.50800
   42    49    50    45.00000  110.52000
   42    49    51    45.00000  110.52000
   42    49    55    70.00000  109.06800
   49    42    43    85.00000  112.85300
   49    55    56    80.00000  120.40000
   49    55    64    70.00000  116.00000
   51    49    50    33.00000  107.80000
   55    49    50    35.00000  109.50000
   55    49    51    35.00000  109.50000
   55    64    65    35.00000  109.50000
   55    64    66    35.00000  109.50000
   55    64    70    75.00000  107.99600
   64    55    56    80.00000  120.40000
   64    70    71    80.00000  120.40000
   64    70    77    70.00000  116.00000
   66    64    65    33.00000  107.80000
   70    64    65    35.00000  109.50000
   70    64    66    35.00000  109.50000
   70    77    78    35.00000  109.50000
   70    77    79    35.00000  109.50000
   70    77    80    35.00000  109.50000
   77    70    71    80.00000  120.40000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    67  -0.16000  1.0 1.0
   29    33    38    67  -0.03200 -1.0 2.0
   29    33    38    67   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    42   0.42700  1.0 1.0
   29    33    39    42  -0.70350 -1.0 2.0
   29    33    39    42  -0.43150  1.0 3.0
   33    38    41    44   3.62500 -1.0 2.0
   33    38    41    46   3.62500 -1.0 2.0
   33    38    67    57   3.62500 -1.0 2.0
   33    38    67    72   3.62500 -1.0 2.0
   33    39    42    43   7.00000 -1.0 2.0
   33    39    42    49   7.00000 -1.0 2.0
   34    33    38    41   0.64500  1.0 1.0
   34    33    38    41   0.14800 -1.0 2.0
   34    33    38    41   0.20650  1.0 3.0
   34    33    38    67   0.64500  1.0 1.0
   34    33    38    67   0.14800 -1.0 2.0
   34    33    38    67   0.20650  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.39000  1.0 1.0
   34    33    39    42  -0.05800 -1.0 2.0
   34    33    39    42  -0.55150  1.0 3.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    42   1.44450  1.0 1.0
   38    33    39    42   0.06600 -1.0 2.0
   38    33    39    42   0.29250  1.0 3.0
   38    41    44    45   3.62500 -1.0 2.0
   38    41    44    52   3.62500 -1.0 2.0
   38    41    46    47   0.00000  1.0 1.0
   38    41    46    48   0.00000  1.0 1.0
   38    41    46    53   0.04300 -1.0 2.0
   38    67    72    73   0.84100 -1.0 2.0
   41    38    67    57   3.62500 -1.0 2.0
   41    38    67    72   3.62500 -1.0 2.0
   41    44   -52    57   3.62500 -1.0 2.0
   41    44    52    59   3.62500 -1.0 2.0
   41    46    53    54   0.30150 -1.0 2.0
   41    46    53    61   0.65300  1.0 1.0
   41    46    53    61  -0.03850 -1.0 2.0
   41    46    53    61   0.33900  1.0 3.0
   44    41    46    47   0.00000  1.0 1.0
   44    41    46    48   0.00000  1.0 1.0
   44    41    46    53   0.04300 -1.0 2.0
   44    52    57    58   3.62500 -1.0 2.0
   44    52    57    67   3.62500 -1.0 2.0
   44    52    59    60   0.84100 -1.0 2.0
   45    44    52    57   3.62500 -1.0 2.0
   45    44    52    59   3.62500 -1.0 2.0
   52    57   -67    38   3.62500 -1.0 2.0
   52    57    67    72   3.62500 -1.0 2.0
   57    52    59    60   0.84100 -1.0 2.0
   57    67    72    73   0.84100 -1.0 2.0
   58    57    67    38   3.62500 -1.0 2.0
   58    57    67    72   3.62500 -1.0 2.0
   67    38   -41    44   3.62500 -1.0 2.0
   67    38    41    46   3.62500 -1.0 2.0
   59    52    57    58   3.62500 -1.0 2.0
   59    52    57    67   3.62500 -1.0 2.0
   46    41    44    45   3.62500 -1.0 2.0
   46    41    44    52   3.62500 -1.0 2.0
   46    53    61    62   0.00000  1.0 1.0
   46    53    61    63   0.00000  1.0 1.0
   46    53    61    68   0.65300  1.0 1.0
   46    53    61    68  -0.03850 -1.0 2.0
   46    53    61    68   0.33900  1.0 3.0
   47    46    53    54   0.00000  1.0 1.0
   47    46    53    61   0.00000  1.0 1.0
   48    46    53    54   0.00000  1.0 1.0
   48    46    53    61   0.00000  1.0 1.0
   53    61    68    69   0.30150 -1.0 2.0
   53    61    68    74   0.65300  1.0 1.0
   53    61    68    74  -0.03850 -1.0 2.0
   53    61    68    74   0.33900  1.0 3.0
   54    53    61    62   0.00000  1.0 1.0
   54    53    61    63   0.00000  1.0 1.0
   54    53    61    68   0.30150 -1.0 2.0
   61    68    74    75   0.00000  1.0 1.0
   61    68    74    76   0.00000  1.0 1.0
   61    68    74    81   0.65300  1.0 1.0
   61    68    74    81  -0.03850 -1.0 2.0
   61    68    74    81   0.33900  1.0 3.0
   62    61    68    69   0.00000  1.0 1.0
   62    61    68    74   0.00000  1.0 1.0
   63    61    68    69   0.00000  1.0 1.0
   63    61    68    74   0.00000  1.0 1.0
   68    74    81    82   0.30150 -1.0 2.0
   68    74    81    83   0.00000  1.0 1.0
   69    68    74    75   0.00000  1.0 1.0
   69    68    74    76   0.00000  1.0 1.0
   69    68    74    81   0.30150 -1.0 2.0
   74    81    83    84  -0.11550  1.0 1.0
   74    81    83    84   1.88700 -1.0 2.0
   75    74    81    82   0.00000  1.0 1.0
   75    74    81    83   0.00000  1.0 1.0
   76    74    81    82   0.00000  1.0 1.0
   76    74    81    83   0.00000  1.0 1.0
   81    83    84    85   0.24000  1.0 3.0
   81    83    84    86   0.24000  1.0 3.0
   81    83    84    87   0.24000  1.0 3.0
   82    81    83    84  -0.11550  1.0 1.0
   82    81    83    84   1.88700 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    67   0.18050 -1.0 2.0
   39    42    49    50   0.00000  1.0 1.0
   39    42    49    51   0.00000  1.0 1.0
   39    42    49    55  -0.51250  1.0 1.0
   39    42    49    55  -0.88800 -1.0 2.0
   39    42    49    55   0.08850  1.0 3.0
   40    39    42    43   7.00000 -1.0 2.0
   40    39    42    49   7.00000 -1.0 2.0
   42    49    55    56   0.30150 -1.0 2.0
   42    49    55    64   0.65300  1.0 1.0
   42    49    55    64  -0.03850 -1.0 2.0
   42    49    55    64   0.33900  1.0 3.0
   43    42    49    50   0.00000  1.0 1.0
   43    42    49    51   0.00000  1.0 1.0
   43    42    49    55   0.09700  1.0 1.0
   43    42    49    55   0.15600 -1.0 2.0
   43    42    49    55  -0.50800  1.0 3.0
   49    55    64    65   0.00000  1.0 1.0
   49    55    64    66   0.00000  1.0 1.0
   49    55    64    70   0.65300  1.0 1.0
   49    55    64    70  -0.03850 -1.0 2.0
   49    55    64    70   0.33900  1.0 3.0
   50    49    55    56   0.00000  1.0 1.0
   50    49    55    64   0.00000  1.0 1.0
   51    49    55    56   0.00000  1.0 1.0
   51    49    55    64   0.00000  1.0 1.0
   55    64    70    71   0.30150 -1.0 2.0
   55    64    70    77   0.65300  1.0 1.0
   55    64    70    77  -0.03850 -1.0 2.0
   55    64    70    77   0.33900  1.0 3.0
   56    55    64    65   0.00000  1.0 1.0
   56    55    64    66   0.00000  1.0 1.0
   56    55    64    70   0.30150 -1.0 2.0
   64    70    77    78   0.00000  1.0 1.0
   64    70    77    79   0.00000  1.0 1.0
   64    70    77    80   0.00000  1.0 1.0
   65    64    70    71   0.00000  1.0 1.0
   65    64    70    77   0.00000  1.0 1.0
   66    64    70    71   0.00000  1.0 1.0
   66    64    70    77   0.00000  1.0 1.0
   71    70    77    78   0.00000  1.0 1.0
   71    70    77    79   0.00000  1.0 1.0
   71    70    77    80   0.00000  1.0 1.0
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
   41    67    38    33   4.00000 -1.0 2.0
   44    46    41    38   4.00000 -1.0 2.0
   52    45    44    41   1.10000 -1.0 2.0
   57    59    52    44   4.00000 -1.0 2.0
   67    58    57    52   1.10000 -1.0 2.0
   57    72    67    38   4.00000 -1.0 2.0
   46    61    53    54  10.50000 -1.0 2.0
   61    74    68    69  10.50000 -1.0 2.0
   74    83    81    82  10.50000 -1.0 2.0
   33    40    39    42  15.00000 -1.0 2.0
   49    43    42    39  15.00000 -1.0 2.0
   49    64    55    56  10.50000 -1.0 2.0
   64    77    70    71  10.50000 -1.0 2.0
END
