* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    143    238     430
    1     0 S   NP   _N1_     1    29.82997   100.56970   -22.78486
    2     1 S   H    _HN1     2     1.02835    51.43188   150.09417
    3     1 S   H    _H1_     3     1.02777   121.82278  -121.78346
    4     1 S   H    _H2_     4     1.02954    55.68249   -30.39399
    5     1 S   CT   _CA1     5     1.50152   125.92803    61.14855
    6     5 S   HC   _HA1     6     1.09576   105.19731   116.06054
    7     5 S   CO3  _C1_     7     1.53789   112.14519    -4.08015
    8     7 S   O2Z  _O11     8     1.26370   115.00257   -47.81602
    9     7 S   O2Z  _O12     9     1.26218   114.92995   130.95887
   10     5 S   CT   _CB1    10     1.53073   107.37428  -126.11566
   11    10 S   HC   HB11    11     1.09833   109.36405   -50.06875
   12    10 S   HC   HB12    12     1.09811   110.46425    66.48927
   13    10 S   CT   _CG1    13     1.53021   112.64929  -171.05958
   14    13 S   HC   HG11    14     1.09597   110.56771   -64.34933
   15    13 S   HC   HG12    15     1.09658   109.88630    54.85956
   16    13 S   C    _CD1    16     1.51852   112.14232   175.26050
   17    16 S   O    _OE1    17     1.22785   123.28958     3.70317
   18    16 S   N    _N2_    18     1.38422   111.81584  -176.42763
   19    18 S   H    _HN2    19     1.01738   119.35967     2.52701
   20    18 S   CT1  _CA2    20     1.45820   122.93508   179.01762
   21    20 S   HC   _HA2    21     1.09713   108.93575    29.21047
   22    20 S   C    _C2_    22     1.53192   107.62048   -88.32218
   23    22 S   O    _O2_    23     1.22943   123.09462   -22.07315
   24    20 S   CT   _CB2    32     1.53218   111.83244   152.54488
   25    24 S   HC   HB21    33     1.09195   108.60329    56.65193
   26    24 S   HC   HB22    34     1.09345   109.95786   175.07889
   27    22 S   N    _N3_    24     1.38699   112.32583   160.81654
   28    27 S   H    _HN3    25     1.01525   119.59676    -0.78559
   29    24 S   S    _SG2    35     1.82322   111.72650   -64.64009
   30    27 S   CT   _CA3    26     1.45508   123.15093   173.27200
   31    30 S   HC   HA31    27     1.09499   109.50539    22.74379
   32    30 S   HC   HA32    28     1.09488   107.19013   140.00262
   33    29 S   CT   _C23    36     1.87743   101.96216   165.26044
   34    33 S   OM   _O38    37     1.32527   105.52754  -177.18888
   35    30 S   CO3  _C3_    29     1.53028   112.54509  -100.63756
   36    35 S   O2Z  _O31    30     1.26438   115.27185   -47.92493
   37    35 S   O2Z  _O32    31     1.26336   115.25329   132.70396
   38    33 S   CM   _C6_    38     1.52956   111.48996   -61.99870
   39    33 S   CT   _C22    67     1.57692   109.08423    64.94711
   40    39 S   HC   _H4_    68     1.09597   110.92935    -1.81067
   41    38 S   CMA  _C7_    39     1.36386   126.21155   143.28398
   42    41 S   OM   _O33    40     1.26661   129.32271   178.65885
   43    39 S   OH   _O39    69     1.44397   112.44630   113.09727
   44    43 S   HO   _H15    70     0.97505   105.20715    42.59837
   45    38 S   CO4  _C5_    73     1.50922   118.89207   -38.87604
   46    45 S   O    _O41    74     1.23124   121.17422    96.50566
   47    41 S   CT   _C8_    41     1.57552   117.05591     0.36262
   48    45 S   CT   _C4_    75     1.50667   117.42761   -81.86930
   49    48 S   HC   _H5_    76     1.09270   109.48272   100.88361
   50    48 S   HC   _H6_    77     1.09330   111.17524   -20.36551
   51    48 S   HC   _H7_    78     1.09373   109.00197  -138.96693
   52    47 S   CMA  _C21    42     1.59763   116.65871  -161.59359
   53    52 S   OM   _O34    43     1.27031   110.82179   -89.65869
   54    47 S   OH   _O40    71     1.44880   106.57884    76.16666
   55    54 S   HO   _H16    72     0.97399   105.05887    86.56918
   56    52 S   CM   _C20    44     1.36613   118.88365    92.23931
   57    56 S   CM   _C11    45     1.46057   123.00168     0.88713
   58    56 S   CO4  _C19    56     1.52121   119.63541   179.71538
   59    58 S   O    _O35    57     1.22666   123.82551    -6.44287
   60    57 S   CM   _C12    46     1.34154   122.08060  -176.88115
   61    60 S   HC   _H10    47     1.08624   120.40833  -179.94766
   62    57 S   CT   _C10    62     1.50194   119.08214     3.77133
   63    62 S   HC   _H8_    63     1.09768   110.05511   146.18776
   64    62 S   HC   _H9_    64     1.09221   107.19122   -97.70161
   65    60 S   CA   _C13    48     1.45794   122.08416     1.05573
   66    47 S   CT   _C9_    65     1.55061   109.97651   -37.98924
   67    66 S   HC   _H3_    66     1.10234   107.72368   173.47195
   68    65 S   CA   _C14    49     1.40329   119.01343   176.72966
   69    68 S   HA   _H11    50     1.08819   120.15501    -0.36584
   70    68 S   CA   _C15    51     1.39238   119.95683   179.77794
   71    70 S   CA   _C16    52     1.38909   120.67686    -0.09279
   72    71 S   HA   _H12    53     1.08665   120.23672  -179.98022
   73    70 S   OH   _O37    60     1.36617   121.01596   179.88465
   74    73 S   HO   _H14    61     0.97277   108.53058    -0.70081
   75    71 S   CA   _C17    54     1.39573   119.48005     0.09487
   76    65 S   CA   _C18    55     1.40163   120.95998    -3.48397
   77    75 S   OH   _O36    58     1.36978   115.73005   179.82529
   78    77 S   HO   _H13    59     0.97452   108.58811   179.59749
  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
  15   7   2   1   1  15  14   6  13   5   5   1   6   4  12   3
   2   1   1  12   5   5   1  12  12   9   3  11   4   5   3   2
   8   1   1   8   4   7   7   4   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    66    39    40    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    47    62    66    67    39    40    43    44    45    46    48  
   38    41    66    39    40    43    45  
   36    37  
   37  
    0  
   41    42    47    52    66    39    40    43    54    45    46    48    49    50    51  
   40    43    44    54    45    41    47    52    57    62    63    64    66    67  
   43    44    47    62    66    67  
   42    47    52    53    56    62    66    67    54    55    45    46    48  
   47    52    66    54    45  
   44    47    62    66    67  
   66  
   46    48    49    50    51    47  
   48    49    50    51  
   52    53    56    57    58    62    63    64    66    67    54    55  
   49    50    51  
   50    51  
   51  
    0  
   53    56    57    60    76    58    59    62    66    67    54    55  
   56    57    58    66    54  
   55    56    62    66    67  
   66  
   57    60    61    65    75    76    58    59    62    63    64    66  
   60    61    65    68    76    58    59    62    63    64    66    67  
   59    77    62    60    65    68    71    75    76  
   65    75    76  
   61    65    68    69    70    75    76    62    63    64    66  
   65    68    76    62  
   63    64    66    67    65  
   64    66    67  
   66    67  
   68    69    70    71    75    76    77    73  
   67  
    0  
   69    70    71    72    75    76    73    74  
   70    71    76    73  
   71    72    75    76    77    73    74  
   72    75    76    77    78    73    74  
   75    76    77    73  
   74    75  
    0  
   76    77    78  
   77    78  
   78  
    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  -0.012500   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   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   53   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   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   570.000  1.307
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   465.000  1.376
   38    45   320.000  1.462
   41    42   745.000  1.250
   41    47   270.000  1.512
   47    52   270.000  1.512
   47    66   268.000  1.529
   47    54   320.000  1.410
   52    53   745.000  1.250
   52    56   465.000  1.376
   56    57   380.000  1.444
   56    58   320.000  1.462
   57    60   549.000  1.340
   57    62   317.000  1.510
   60    61   340.000  1.080
   60    65   320.000  1.460
   65    68   469.000  1.400
   65    76   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   469.000  1.400
   70    73   450.000  1.364
   71    72   367.000  1.080
   71    75   469.000  1.400
   75    76   469.000  1.400
   75    77   450.000  1.364
   76    58   310.000  1.470
   58    59   570.000  1.229
   77    78   553.000  0.945
   73    74   553.000  0.945
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    66   268.000  1.529
   66    67   340.000  1.090
   66    39   268.000  1.529
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    44   553.000  0.945
   54    55   553.000  0.945
   45    46   570.000  1.229
   45    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    45    65.00000  116.34900
   33    39    66    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    47    65.00000  122.18000
   38    45    46    80.00000  123.72100
   38    45    48    65.00000  118.62400
   41    47    52    70.00000  110.12100
   41    47    66    70.00000  112.02700
   41    47    54    90.00000  110.39200
   47    41    42    85.00000  112.85300
   47    52    53    85.00000  112.85300
   47    52    56    65.00000  122.18000
   47    66    62    58.35000  112.70000
   47    66    67    37.50000  110.70000
   47    66    39    58.35000  112.70000
   47    54    55    55.00000  108.50000
   52    56    57    70.00000  117.34000
   52    56    58    60.00000  125.92000
   56    52    53    65.00000  137.10300
   56    57    60    70.00000  123.01800
   56    57    62    70.00000  124.00000
   56    58    76    65.00000  117.02400
   56    58    59    80.00000  123.72100
   57    60    61    35.00000  120.00000
   57    60    65    60.00000  123.20500
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    66    70.00000  112.02700
   60    65    68    60.00000  120.93500
   60    65    76    60.00000  120.93500
   65    60    61    40.00000  117.26300
   65    68    69    35.00000  120.00000
   65    68    70    63.00000  120.00000
   65    76    75    63.00000  120.00000
   65    76    58    60.00000  119.52600
   68    70    71    63.00000  120.00000
   68    70    73    70.00000  120.00000
   70    68    69    35.00000  120.00000
   70    71    72    35.00000  120.00000
   70    71    75    63.00000  120.00000
   70    73    74    35.00000  113.00000
   71    75    76    63.00000  120.00000
   71    75    77    70.00000  120.00000
   75    71    72    35.00000  120.00000
   75    76    58    60.00000  119.52600
   75    77    78    35.00000  113.00000
   76    65    68    63.00000  120.00000
   76    58    59    75.00000  123.78400
   58    56    57    65.00000  118.96000
   77    75    76    70.00000  120.00000
   73    70    71    70.00000  120.00000
   62    57    60    70.00000  124.00000
   62    66    67    37.50000  110.70000
   62    66    39    58.35000  112.70000
   64    62    63    33.00000  107.80000
   66    47    52    70.00000  112.02700
   66    62    63    37.50000  110.70000
   66    62    64    37.50000  110.70000
   66    39    40    37.50000  110.70000
   66    39    43    50.00000  109.50000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    66    67    37.50000  110.70000
   39    43    44    55.00000  108.50000
   43    39    40    35.00000  109.50000
   54    47    52    90.00000  110.39200
   54    47    66    50.00000  109.50000
   45    38    41    60.00000  125.92000
   45    48    49    35.00000  109.50000
   45    48    50    35.00000  109.50000
   45    48    51    35.00000  109.50000
   48    45    46    80.00000  120.40000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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  -0.62250  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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    45   0.09700  1.0 1.0
   29    33    38    45   0.15600 -1.0 2.0
   29    33    38    45  -0.50800  1.0 3.0
   29    33    39    66   0.44750  1.0 1.0
   29    33    39    66  -0.17800 -1.0 2.0
   29    33    39    66   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    47   7.00000 -1.0 2.0
   33    38    45    46  -0.64400  1.0 1.0
   33    38    45    46   0.26850 -1.0 2.0
   33    38    45    48   0.25700  1.0 1.0
   33    38    45    48   0.66200 -1.0 2.0
   33    38    45    48   0.04450  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    45   0.09700  1.0 1.0
   34    33    38    45   0.15600 -1.0 2.0
   34    33    38    45  -0.50800  1.0 3.0
   34    33    39    66   0.62750  1.0 1.0
   34    33    39    66  -0.30950 -1.0 2.0
   34    33    39    66   0.27300  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    43   3.69350  1.0 1.0
   34    33    39    43  -1.82950 -1.0 2.0
   38    33    39    66   0.34400  1.0 1.0
   38    33    39    66   0.09450 -1.0 2.0
   38    33    39    66   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   1.05650  1.0 1.0
   38    33    39    43   0.15600 -1.0 2.0
   38    33    39    43   0.53150  1.0 3.0
   38    41    47    52  -0.28300  1.0 1.0
   38    41    47    52   0.26700 -1.0 2.0
   38    41    47    52  -0.63300  1.0 3.0
   38    41   -47    66   0.09850  1.0 1.0
   38    41   -47    66   0.15250 -1.0 2.0
   38    41   -47    66  -0.50650  1.0 3.0
   38    41    47    54   0.67800  1.0 1.0
   38    41    47    54   0.47050 -1.0 2.0
   38    41    47    54  -0.62500  1.0 3.0
   38    45    48    49   0.00000  1.0 1.0
   38    45    48    50   0.00000  1.0 1.0
   38    45    48    51   0.00000  1.0 1.0
   41    38    45    46   1.00000 -1.0 2.0
   41    38    45    48  -0.33500  1.0 1.0
   41    38    45    48   1.06600 -1.0 2.0
   41    38    45    48  -0.14000  1.0 3.0
   41    47    52    53   0.09700  1.0 1.0
   41    47    52    53   0.15600 -1.0 2.0
   41    47    52    53  -0.50800  1.0 3.0
   41    47    52    56  -0.28300  1.0 1.0
   41    47    52    56   0.26700 -1.0 2.0
   41    47    52    56  -0.63300  1.0 3.0
   41    47    66    62   0.34400  1.0 1.0
   41    47    66    62   0.09450 -1.0 2.0
   41    47    66    62   0.11100  1.0 3.0
   41    47    66    67   0.15000  1.0 3.0
   41    47    66    39   0.34400  1.0 1.0
   41    47    66    39   0.09450 -1.0 2.0
   41    47    66    39   0.11100  1.0 3.0
   41    47    54    55  -0.07800  1.0 1.0
   41    47    54    55  -0.21500 -1.0 2.0
   41    47    54    55  -0.03150  1.0 3.0
   42    41    47    52   0.09700  1.0 1.0
   42    41    47    52   0.15600 -1.0 2.0
   42    41    47    52  -0.50800  1.0 3.0
   42    41    47    66   0.09700  1.0 1.0
   42    41    47    66   0.15600 -1.0 2.0
   42    41    47    66  -0.50800  1.0 3.0
   42    41    47    54   0.09700  1.0 1.0
   42    41    47    54   0.15600 -1.0 2.0
   42    41    47    54  -0.50800  1.0 3.0
   47    52    56    57   7.00000 -1.0 2.0
   47    52    56    58   7.00000 -1.0 2.0
   47    66   -39    33   0.56750  1.0 1.0
   47    66   -39    33  -0.07550 -1.0 2.0
   47    66   -39    33   0.20000  1.0 3.0
   47    66    39    40   0.15000  1.0 3.0
   47    66    39    43   0.86500  1.0 1.0
   47    66    39    43  -0.17500 -1.0 2.0
   47    66    39    43   0.20800  1.0 3.0
   52    47    66    62   0.34400  1.0 1.0
   52    47    66    62   0.09450 -1.0 2.0
   52    47    66    62   0.11100  1.0 3.0
   52    47    66    67   0.15000  1.0 3.0
   52    47    66    39   0.34400  1.0 1.0
   52    47    66    39   0.09450 -1.0 2.0
   52    47    66    39   0.11100  1.0 3.0
   52    47    54    55  -0.07800  1.0 1.0
   52    47    54    55  -0.21500 -1.0 2.0
   52    47    54    55  -0.03150  1.0 3.0
   52    56    57    60   0.28850  1.0 1.0
   52    56    57    60   2.61350 -1.0 2.0
   52    56    57    60   0.78400  1.0 3.0
   52    56   -57    62  -0.18600  1.0 3.0
   52    56    58    76  -1.65800  1.0 1.0
   52    56    58    76   0.77650 -1.0 2.0
   52    56    58    59   1.00000 -1.0 2.0
   53    52    56    57   7.00000 -1.0 2.0
   53    52    56    58   7.00000 -1.0 2.0
   56    57    60    61   7.00000 -1.0 2.0
   56    57    60    65   7.00000 -1.0 2.0
   56    57    62    63   0.00000  1.0 1.0
   56    57    62    64   0.00000  1.0 1.0
   56    57    62    66   0.98200  1.0 1.0
   56    57    62    66  -0.11900 -1.0 2.0
   56    57    62    66   0.24250  1.0 3.0
   57    56    58    76  -1.65800  1.0 1.0
   57    56    58    76   0.77650 -1.0 2.0
   57    56    58    59   1.00000 -1.0 2.0
   57    60    65    68   0.15800  1.0 1.0
   57    60    65    68   1.85350 -1.0 2.0
   57    60    65    68  -0.48700  1.0 3.0
   57    60   -65    76   0.15800  1.0 1.0
   57    60   -65    76   1.85350 -1.0 2.0
   57    60   -65    76  -0.48700  1.0 3.0
   57    62   -66    47   0.34400  1.0 1.0
   57    62   -66    47   0.09450 -1.0 2.0
   57    62   -66    47   0.11100  1.0 3.0
   57    62    66    67   0.15000  1.0 3.0
   57    62    66    39   0.34400  1.0 1.0
   57    62    66    39   0.09450 -1.0 2.0
   57    62    66    39   0.11100  1.0 3.0
   60    57    62    63   0.00000  1.0 1.0
   60    57    62    64   0.00000  1.0 1.0
   60    57    62    66   0.09850  1.0 1.0
   60    57    62    66   0.15250 -1.0 2.0
   60    57    62    66  -0.50650  1.0 3.0
   60    65    68    69   3.62500 -1.0 2.0
   60    65    68    70   3.62500 -1.0 2.0
   60    65    76    75   3.62500 -1.0 2.0
   60    65    76    58   3.62500 -1.0 2.0
   61    60    65    68   0.56550  1.0 3.0
   61    60    65    76   0.56550  1.0 3.0
   65    68    70    71   3.62500 -1.0 2.0
   65    68    70    73   3.62500 -1.0 2.0
   65    76   -58    56  -0.11500  1.0 1.0
   65    76   -58    56   1.10450 -1.0 2.0
   65    76   -58    56  -0.48050  1.0 3.0
   65    76    58    59   1.05000 -1.0 2.0
   68    65    76    75   3.62500 -1.0 2.0
   68    65    76    58   3.62500 -1.0 2.0
   68    70    71    72   3.62500 -1.0 2.0
   68    70   -71    75   3.62500 -1.0 2.0
   68    70    73    74   0.84100 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    73   3.62500 -1.0 2.0
   70    71    75    76   3.62500 -1.0 2.0
   70    71    75    77   3.62500 -1.0 2.0
   71    70    73    74   0.84100 -1.0 2.0
   71    75   -76    65   3.62500 -1.0 2.0
   71    75    76    58   3.62500 -1.0 2.0
   71    75    77    78   0.84100 -1.0 2.0
   72    71    75    76   3.62500 -1.0 2.0
   72    71    75    77   3.62500 -1.0 2.0
   75    76    58    56  -0.11500  1.0 1.0
   75    76    58    56   1.10450 -1.0 2.0
   75    76    58    56  -0.48050  1.0 3.0
   75    76    58    59   1.05000 -1.0 2.0
   76    65    68    69   3.62500 -1.0 2.0
   76    65   -68    70   3.62500 -1.0 2.0
   76    75    77    78   0.84100 -1.0 2.0
   58    56   -57    60  -0.18600  1.0 3.0
   58    56    57    62   1.08500 -1.0 2.0
   77    75    76    65   3.62500 -1.0 2.0
   77    75    76    58   3.62500 -1.0 2.0
   73    70    71    72   3.62500 -1.0 2.0
   73    70    71    75   3.62500 -1.0 2.0
   62    57    60    61   7.00000 -1.0 2.0
   62    57    60    65   7.00000 -1.0 2.0
   62    66    39    33   0.56750  1.0 1.0
   62    66    39    33  -0.07550 -1.0 2.0
   62    66    39    33   0.20000  1.0 3.0
   62    66    39    40   0.15000  1.0 3.0
   62    66    39    43   0.86500  1.0 1.0
   62    66    39    43  -0.17500 -1.0 2.0
   62    66    39    43   0.20800  1.0 3.0
   63    62    66    47   0.15000  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    39   0.15000  1.0 3.0
   64    62    66    47   0.15000  1.0 3.0
   64    62    66    67   0.15000  1.0 3.0
   64    62    66    39   0.15000  1.0 3.0
   66    47    52    53   0.09700  1.0 1.0
   66    47    52    53   0.15600 -1.0 2.0
   66    47    52    53  -0.50800  1.0 3.0
   66    47   -52    56   0.09850  1.0 1.0
   66    47   -52    56   0.15250 -1.0 2.0
   66    47   -52    56  -0.50650  1.0 3.0
   66    47    54    55  -0.11600  1.0 1.0
   66    47    54    55  -0.09450 -1.0 2.0
   66    47    54    55   0.21250  1.0 3.0
   66    39    43    44  -0.11600  1.0 1.0
   66    39    43    44  -0.09450 -1.0 2.0
   66    39    43    44   0.21250  1.0 3.0
   67    66    39    33   0.15000  1.0 3.0
   67    66    39    40   0.15000  1.0 3.0
   67    66    39    43   0.23400  1.0 3.0
   39    33   -38    41   0.09850  1.0 1.0
   39    33   -38    41   0.15250 -1.0 2.0
   39    33   -38    41  -0.50650  1.0 3.0
   39    33    38    45   0.09700  1.0 1.0
   39    33    38    45   0.15600 -1.0 2.0
   39    33    38    45  -0.50800  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   54    47    52    53   0.09700  1.0 1.0
   54    47    52    53   0.15600 -1.0 2.0
   54    47    52    53  -0.50800  1.0 3.0
   54    47    52    56   0.67800  1.0 1.0
   54    47    52    56   0.47050 -1.0 2.0
   54    47    52    56  -0.62500  1.0 3.0
   54    47    66    62   0.86500  1.0 1.0
   54    47    66    62  -0.17500 -1.0 2.0
   54    47    66    62   0.20800  1.0 3.0
   54    47    66    67   0.23400  1.0 3.0
   54    47    66    39   0.86500  1.0 1.0
   54    47    66    39  -0.17500 -1.0 2.0
   54    47    66    39   0.20800  1.0 3.0
   45    38    41    42   7.00000 -1.0 2.0
   45    38    41    47   7.00000 -1.0 2.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    50   0.00000  1.0 1.0
   46    45    48    51   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
   33    45    38    41   1.10000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   47    53    52    56   1.10000 -1.0 2.0
   57    58    56    52   1.10000 -1.0 2.0
   56    62    57    60   1.10000 -1.0 2.0
   65    61    60    57   1.10000 -1.0 2.0
   68    76    65    60   4.00000 -1.0 2.0
   70    69    68    65   1.10000 -1.0 2.0
   71    73    70    68   4.00000 -1.0 2.0
   75    72    71    70   1.10000 -1.0 2.0
   76    77    75    71   4.00000 -1.0 2.0
   75    58    76    65   4.00000 -1.0 2.0
   56    76    58    59  10.50000 -1.0 2.0
   38    48    45    46  10.50000 -1.0 2.0
END
