* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    161    255     472
    1     0 S   NP   _N1_     1    28.89142    95.53978   -19.22382
    2     1 S   H    _HN1     2     1.02784    73.77245   -73.33267
    3     1 S   H    _H1_     3     1.02963    96.01732    34.00115
    4     1 S   H    _H2_     4     1.02843    41.72288   142.97601
    5     1 S   CT   _CA1     5     1.50085   148.07203  -179.44964
    6     5 S   HC   _HA1     6     1.09564   105.33352    33.57553
    7     5 S   CO3  _C1_     7     1.53880   112.20959   -86.86065
    8     7 S   O2Z  _O11     8     1.26363   115.02302   -47.51920
    9     7 S   O2Z  _O12     9     1.26233   114.94805   131.85709
   10     5 S   CT   _CB1    10     1.53118   107.45241   151.61504
   11    10 S   HC   HB11    11     1.09814   109.64509   -49.48932
   12    10 S   HC   HB12    12     1.09833   110.29976    67.12186
   13    10 S   CT   _CG1    13     1.53011   112.56489  -170.58823
   14    13 S   HC   HG11    14     1.09462   110.30991   -55.73985
   15    13 S   HC   HG12    15     1.09605   110.26008    63.26939
   16    13 S   C    _CD1    16     1.51772   111.91308  -176.56327
   17    16 S   O    _OE1    17     1.22742   123.00652   -19.49834
   18    16 S   N    _N2_    18     1.38546   111.86366   161.25185
   19    18 S   H    _HN2    19     1.01588   119.08850     1.60815
   20    18 S   CT1  _CA2    20     1.46266   123.47357  -177.06095
   21    20 S   HC   _HA2    21     1.09728   109.37765   -17.32145
   22    20 S   C    _C2_    22     1.53387   108.23617  -133.11761
   23    22 S   O    _O2_    23     1.23004   122.29683  -145.39021
   24    20 S   CT   _CB2    32     1.53490   111.12179   104.88523
   25    24 S   HC   HB21    33     1.09500   109.38666    53.95532
   26    24 S   HC   HB22    34     1.09503   110.77594   172.27864
   27    22 S   N    _N3_    24     1.38523   113.29000    41.97046
   28    27 S   H    _HN3    25     1.01535   118.92233    -0.45370
   29    24 S   S    _SG2    35     1.82977   111.62705   -68.67315
   30    27 S   CT   _CA3    26     1.45454   123.41784   175.09068
   31    30 S   HC   HA31    27     1.09525   109.19124    25.01200
   32    30 S   HC   HA32    28     1.09493   107.12285   142.02132
   33    29 S   CT   _C9_    36     1.84331   100.64887   141.73228
   34    33 S   HC   _H4_    37     1.09656   107.62202  -177.07691
   35    30 S   CO3  _C3_    29     1.52938   113.19029   -98.42843
   36    35 S   O2Z  _O31    30     1.26397   115.44852   -42.95512
   37    35 S   O2Z  _O32    31     1.26362   114.95076   137.99185
   38    33 S   CT   _C10    38     1.53708   112.09350    62.81287
   39    38 S   HC   _H5_    39     1.09923   109.98502   -73.32519
   40    33 S   OS   _O35    71     1.43591   110.91280   -57.58637
   41    38 S   CO4  _C20    40     1.51029   112.64575   170.53710
   42    41 S   O    _O37    41     1.22076   126.62616    32.75238
   43    40 S   CO   _C7_    72     1.42388   113.74169   -82.32216
   44    43 S   HC   _H3_    73     1.09547   111.46469    52.93689
   45    41 S   OS   _O36    42     1.36501   109.47553  -150.24529
   46    43 S   CM   _C6_    74     1.47654   108.49647   174.86187
   47    46 S   HC   _H11    75     1.08038   123.97914   -59.78693
   48    45 S   CT   _C19    43     1.44481   111.32083     6.15039
   49    48 S   HC   _H7_    44     1.09420   107.43220  -106.70701
   50    46 S   CM   _C5_    76     1.33020   111.48258   121.20515
   51    38 S   CT   _C11    45     1.52402   117.72770    52.81335
   52    51 S   HC   _H6_    46     1.09571   111.61263   -85.51868
   53    50 S   CO4  _C8_    77     1.46696   106.37353    -0.71792
   54    53 S   O    _O34    78     1.21894   125.53115  -179.64502
   55    50 S   CT   _C4_    80     1.47790   129.90134   178.92808
   56    55 S   HC   _H8_    81     1.09442   110.54310   120.12774
   57    55 S   HC   _H9_    82     1.09482   111.42310     0.10087
   58    55 S   HC   _H10    83     1.09451   110.50079  -119.82763
   59    51 S   CM   _C12    47     1.50471   118.22493    41.67960
   60    59 S   HC   _H12    48     1.08112   124.02501   -60.45164
   61    43 S   OS   _O33    79     1.43168   113.04148   -70.83965
   62    59 S   CM   _C13    49     1.33821   111.68444   128.49337
   63    62 S   CT   _C14    50     1.48971   127.80437   167.01331
   64    63 S   HC   _H13    51     1.09593   111.32109     4.89305
   65    63 S   HC   _H14    52     1.09568   109.84771   123.05380
   66    63 S   CT   _C15    53     1.53258   109.10686  -116.09035
   67    66 S   HC   _H15    54     1.09722   109.26835    74.36842
   68    66 S   HC   _H16    55     1.09643   109.27991  -169.85844
   69    66 S   CT   _C16    56     1.53955   113.46261   -47.65351
   70    69 S   HC   _H17    57     1.09768   108.70943   174.38654
   71    69 S   HC   _H18    58     1.09766   108.25629   -71.18318
   72    69 S   CT   _C17    59     1.56468   114.02038    51.34514
   73    48 S   CT   _C18    60     1.54818   110.61220   128.66810
   74    72 S   CT   _C21    63     1.54600   108.96387    70.88842
   75    74 S   HC   _H20    64     1.09508   111.47279   174.81942
   76    74 S   HC   _H21    65     1.09648   110.77476    55.89239
   77    74 S   HC   _H22    66     1.09379   112.62833   -63.92165
   78    72 S   CT   _C22    67     1.54478   107.93112  -172.94020
   79    78 S   HC   _H23    68     1.09505   111.37346   179.22620
   80    78 S   HC   _H24    69     1.09528   111.84131    58.56402
   81    78 S   HC   _H25    70     1.09624   110.98219   -60.99811
   82    73 S   OH   _O38    61     1.43018   108.53838    22.95055
   83    82 S   HO   _H19    62     0.97033   109.26027  -166.69396
  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
  15   6   2   1   1  14   8   9   8   3   8   5   9   9   4  14
   7   7   8   4   6   2   4   2   1   1   9   3   1  13  11   6
   5   9   5   4  13   5   4  11  10   8   3   2   1   4   2   1
   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    51    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    45    48    51    52    59    40    43    44    46    61  
   38    39    41    51    40    43  
   36    37  
   37  
    0  
   39    41    42    45    48    49    51    52    59    60    62    73    40    43  
   41    42    45    48    51    52    59    40  
   43    44    46    47    50    53    61    41    51  
   42    45    48    49    51    52    59    73  
   45    48    51  
   44    46    47    50    53    54    61    55  
   46    47    50    53    61  
   48    49    51    52    59    62    72    73    82  
   47    50    53    54    61    55    56    57    58  
   50    53    61    55  
   49    51    52    59    60    62    63    69    72    73    82    83    74    78  
   51    52    59    62    72    73    82  
   53    54    61    55    56    57    58  
   52    59    60    62    63    72    73    82  
   59    60    62    73  
   54    61    55    56    57    58  
   61    55  
   56    57    58    61  
   57    58  
   58  
    0  
   60    62    63    64    65    66    72    73    82  
   62    63    73  
    0  
   63    64    65    66    67    68    69    72    73    82    83    74    78  
   64    65    66    67    68    69    70    71    72    73    82  
   65    66    67    68    69    73  
   66    67    68    69    73  
   67    68    69    70    71    72    73    74    78  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72    73    82    74    75    76    77    78    79    80    81  
   71    72    73    74    78  
   72    73    74    78  
   73    82    83    74    75    76    77    78    79    80    81  
   82    83    74    75    76    77    78    79    80    81  
   75    76    77    78    79    80    81    82  
   76    77    78  
   77    78  
   78  
   79    80    81    82  
   80    81  
   81  
    0  
   83  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.271400   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   45   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   317.000  1.522
   38    51   268.000  1.529
   41    42   570.000  1.229
   41    45   214.000  1.327
   45    48   320.000  1.410
   48    49   340.000  1.090
   48    51   268.000  1.529
   48    73   268.000  1.529
   51    52   340.000  1.090
   51    59   317.000  1.510
   59    60   340.000  1.080
   59    62   549.000  1.340
   62    63   317.000  1.510
   62    73   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   268.000  1.529
   72    74   268.000  1.529
   72    78   268.000  1.529
   73    82   320.000  1.410
   82    83   553.000  0.945
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   40    43   320.000  1.380
   43    44   340.000  1.090
   43    46   317.000  1.510
   43    61   320.000  1.380
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    53   320.000  1.462
   50    55   317.000  1.510
   53    54   570.000  1.229
   53    61   214.000  1.327
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    38    51    58.35000  112.70000
   33    40    43    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    45    81.00000  111.40000
   38    51    48    58.35000  112.70000
   38    51    52    37.50000  110.70000
   38    51    59    70.00000  112.02700
   41    38    39    35.00000  109.50000
   41    45    48    83.00000  116.90000
   45    41    42    83.00000  123.40000
   45    48    49    35.00000  109.50000
   45    48    51    50.00000  109.50000
   45    48    73    50.00000  109.50000
   48    51    52    37.50000  110.70000
   48    51    59    70.00000  112.02700
   48    73    62    70.00000  112.02700
   48    73    72    58.35000  112.70000
   48    73    82    50.00000  109.50000
   51    38    39    37.50000  110.70000
   51    38    41    63.00000  111.10000
   51    48    49    37.50000  110.70000
   51    59    60    35.00000  117.00000
   51    59    62    70.00000  124.00000
   59    51    52    35.00000  109.50000
   59    62    63    70.00000  124.00000
   59    62    73    70.00000  124.00000
   62    59    60    35.00000  120.00000
   62    63    64    35.00000  109.50000
   62    63    65    35.00000  109.50000
   62    63    66    70.00000  112.02700
   62    73    72    70.00000  112.02700
   62    73    82    90.00000  110.39200
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    72    73    58.35000  112.70000
   69    72    74    58.35000  112.70000
   69    72    78    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    73    82    50.00000  109.50000
   72    74    75    37.50000  110.70000
   72    74    76    37.50000  110.70000
   72    74    77    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    80    37.50000  110.70000
   72    78    81    37.50000  110.70000
   73    48    49    37.50000  110.70000
   73    48    51    58.35000  112.70000
   73    62    63    65.00000  117.92700
   73    82    83    55.00000  108.50000
   74    72    73    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    72    73    58.35000  112.70000
   78    72    74    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    43    44    35.00000  109.50000
   40    43    46    85.00000  110.90400
   40    43    61    92.60000  111.55000
   43    46    47    35.00000  117.00000
   43    46    50    70.00000  124.00000
   43    61    53    95.00000  111.08000
   46    43    44    35.00000  109.50000
   46    50    53    65.00000  118.96000
   46    50    55    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    53    54    80.00000  123.72100
   50    53    61    90.00000  111.29400
   50    55    56    35.00000  109.50000
   50    55    57    35.00000  109.50000
   50    55    58    35.00000  109.50000
   61    43    44    35.00000  109.50000
   61    43    46    85.00000  110.90400
   61    53    54    83.00000  123.40000
   55    50    53    65.00000  116.34900
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    38    51   0.44750  1.0 1.0
   29    33    38    51  -0.17800 -1.0 2.0
   29    33    38    51   0.20200  1.0 3.0
   29    33    40    43   0.14700  1.0 1.0
   29    33    40    43  -1.16150 -1.0 2.0
   29    33    40    43   0.48700  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    45   0.36750  1.0 3.0
   33    38    51    48   0.56750  1.0 1.0
   33    38    51    48  -0.07550 -1.0 2.0
   33    38    51    48   0.20000  1.0 3.0
   33    38    51    52   0.15000  1.0 3.0
   33    38    51    59   0.34400  1.0 1.0
   33    38    51    59   0.09450 -1.0 2.0
   33    38    51    59   0.11100  1.0 3.0
   33    40    43    44   0.37050  1.0 3.0
   33    40    43    46  -0.77900  1.0 1.0
   33    40    43    46  -0.36900 -1.0 2.0
   33    40    43    46   0.40400  1.0 3.0
   33    40    43    61  -0.53350  1.0 1.0
   33    40    43    61  -0.78350 -1.0 2.0
   33    40    43    61   0.33750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    38    51   0.15000  1.0 3.0
   34    33    40    43   0.37050  1.0 3.0
   38    33    40    43   0.06250  1.0 1.0
   38    33    40    43  -0.01100 -1.0 2.0
   38    33    40    43   0.28050  1.0 3.0
   38    41   -45    48   1.63150  1.0 1.0
   38    41   -45    48   2.92000 -1.0 2.0
   38    51    59    60   0.00000  1.0 1.0
   38    51    59    62   0.09850  1.0 1.0
   38    51    59    62   0.15250 -1.0 2.0
   38    51    59    62  -0.50650  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    45   0.00000  1.0 1.0
   39    38    51    48   0.15000  1.0 3.0
   39    38    51    52   0.15000  1.0 3.0
   39    38    51    59   0.15000  1.0 3.0
   41    38   -51    48  -0.95700  1.0 1.0
   41    38   -51    48  -0.18200 -1.0 2.0
   41    38   -51    48   0.29450  1.0 3.0
   41    38    51    52  -0.11250  1.0 3.0
   41    38    51    59  -0.98800  1.0 1.0
   41    38    51    59   0.48800 -1.0 2.0
   41    38    51    59   0.76800  1.0 3.0
   41    45    48    49   0.08050  1.0 3.0
   41    45   -48    51  -0.25900  1.0 1.0
   41    45   -48    51  -0.47000 -1.0 2.0
   41    45   -48    51   0.11750  1.0 3.0
   41    45    48    73  -0.25900  1.0 1.0
   41    45    48    73  -0.47000 -1.0 2.0
   41    45    48    73   0.11750  1.0 3.0
   42    41    45    48   3.00000 -1.0 2.0
   45    48   -51    38   0.62750  1.0 1.0
   45    48   -51    38  -0.30950 -1.0 2.0
   45    48   -51    38   0.27300  1.0 3.0
   45    48    51    52   0.23400  1.0 3.0
   45    48    51    59   0.61850  1.0 1.0
   45    48    51    59  -0.22750 -1.0 2.0
   45    48    51    59   0.15300  1.0 3.0
   45    48    73    62   0.61850  1.0 1.0
   45    48    73    62  -0.22750 -1.0 2.0
   45    48    73    62   0.15300  1.0 3.0
   45    48    73    72   0.62750  1.0 1.0
   45    48    73    72  -0.30950 -1.0 2.0
   45    48    73    72   0.27300  1.0 3.0
   45    48    73    82   3.69350  1.0 1.0
   45    48    73    82  -1.82950 -1.0 2.0
   48    51    59    60   0.00000  1.0 1.0
   48    51   -59    62   0.09850  1.0 1.0
   48    51   -59    62   0.15250 -1.0 2.0
   48    51   -59    62  -0.50650  1.0 3.0
   48    73    82    83  -0.11600  1.0 1.0
   48    73    82    83  -0.09450 -1.0 2.0
   48    73    82    83   0.21250  1.0 3.0
   49    48    51    38   0.15000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    59   0.15000  1.0 3.0
   49    48    73    62   0.15000  1.0 3.0
   49    48    73    72   0.15000  1.0 3.0
   49    48    73    82   0.23400  1.0 3.0
   51    38    41    42   0.30150 -1.0 2.0
   51    38   -41    45   0.36750  1.0 3.0
   51    48   -73    62   0.34400  1.0 1.0
   51    48   -73    62   0.09450 -1.0 2.0
   51    48   -73    62   0.11100  1.0 3.0
   51    48    73    72   0.56750  1.0 1.0
   51    48    73    72  -0.07550 -1.0 2.0
   51    48    73    72   0.20000  1.0 3.0
   51    48    73    82   0.86500  1.0 1.0
   51    48    73    82  -0.17500 -1.0 2.0
   51    48    73    82   0.20800  1.0 3.0
   51    59    62    63   7.00000 -1.0 2.0
   51    59   -62    73   7.00000 -1.0 2.0
   52    51    59    60   0.33100  1.0 3.0
   52    51    59    62   0.00000  1.0 1.0
   59    62    63    64   0.00000  1.0 1.0
   59    62    63    65   0.00000  1.0 1.0
   59    62    63    66   0.09850  1.0 1.0
   59    62    63    66   0.15250 -1.0 2.0
   59    62    63    66  -0.50650  1.0 3.0
   59    62   -73    48   0.09850  1.0 1.0
   59    62   -73    48   0.15250 -1.0 2.0
   59    62   -73    48  -0.50650  1.0 3.0
   59    62    73    72   0.09850  1.0 1.0
   59    62    73    72   0.15250 -1.0 2.0
   59    62    73    72  -0.50650  1.0 3.0
   59    62    73    82   0.67800  1.0 1.0
   59    62    73    82   0.47050 -1.0 2.0
   59    62    73    82  -0.62500  1.0 3.0
   60    59    62    63   7.00000 -1.0 2.0
   60    59    62    73   7.00000 -1.0 2.0
   62    63    66    67   0.15000  1.0 3.0
   62    63    66    68   0.15000  1.0 3.0
   62    63    66    69   0.34400  1.0 1.0
   62    63    66    69   0.09450 -1.0 2.0
   62    63    66    69   0.11100  1.0 3.0
   62    73    82    83  -0.07800  1.0 1.0
   62    73    82    83  -0.21500 -1.0 2.0
   62    73    82    83  -0.03150  1.0 3.0
   63    62    73    48   0.46850  1.0 1.0
   63    62    73    48   0.08550 -1.0 2.0
   63    62    73    48   0.09800  1.0 3.0
   63    62    73    72   0.46850  1.0 1.0
   63    62    73    72   0.08550 -1.0 2.0
   63    62    73    72   0.09800  1.0 3.0
   63    62    73    82   0.18000  1.0 1.0
   63    62    73    82   0.16450 -1.0 2.0
   63    62    73    82   0.04450  1.0 3.0
   63    66    69    70   0.15000  1.0 3.0
   63    66    69    71   0.15000  1.0 3.0
   63    66   -69    72   0.56750  1.0 1.0
   63    66   -69    72  -0.07550 -1.0 2.0
   63    66   -69    72   0.20000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   66    69    72    73   0.56750  1.0 1.0
   66    69    72    73  -0.07550 -1.0 2.0
   66    69    72    73   0.20000  1.0 3.0
   66    69    72    74   0.56750  1.0 1.0
   66    69    72    74  -0.07550 -1.0 2.0
   66    69    72    74   0.20000  1.0 3.0
   66    69    72    78   0.56750  1.0 1.0
   66    69    72    78  -0.07550 -1.0 2.0
   66    69    72    78   0.20000  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    72    73    48   0.56750  1.0 1.0
   69    72    73    48  -0.07550 -1.0 2.0
   69    72    73    48   0.20000  1.0 3.0
   69    72   -73    62   0.34400  1.0 1.0
   69    72   -73    62   0.09450 -1.0 2.0
   69    72   -73    62   0.11100  1.0 3.0
   69    72    73    82   0.86500  1.0 1.0
   69    72    73    82  -0.17500 -1.0 2.0
   69    72    73    82   0.20800  1.0 3.0
   69    72    74    75   0.15000  1.0 3.0
   69    72    74    76   0.15000  1.0 3.0
   69    72    74    77   0.15000  1.0 3.0
   69    72    78    79   0.15000  1.0 3.0
   69    72    78    80   0.15000  1.0 3.0
   69    72    78    81   0.15000  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    78   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   71    69    72    78   0.15000  1.0 3.0
   72    73    82    83  -0.11600  1.0 1.0
   72    73    82    83  -0.09450 -1.0 2.0
   72    73    82    83   0.21250  1.0 3.0
   73    48    51    38   0.56750  1.0 1.0
   73    48    51    38  -0.07550 -1.0 2.0
   73    48    51    38   0.20000  1.0 3.0
   73    48    51    52   0.15000  1.0 3.0
   73    48   -51    59   0.34400  1.0 1.0
   73    48   -51    59   0.09450 -1.0 2.0
   73    48   -51    59   0.11100  1.0 3.0
   73    62    63    64   0.34800  1.0 3.0
   73    62    63    65   0.34800  1.0 3.0
   73    62   -63    66   0.46850  1.0 1.0
   73    62   -63    66   0.08550 -1.0 2.0
   73    62   -63    66   0.09800  1.0 3.0
   73    72    74    75   0.15000  1.0 3.0
   73    72    74    76   0.15000  1.0 3.0
   73    72    74    77   0.15000  1.0 3.0
   73    72    78    79   0.15000  1.0 3.0
   73    72    78    80   0.15000  1.0 3.0
   73    72    78    81   0.15000  1.0 3.0
   74    72    73    48   0.56750  1.0 1.0
   74    72    73    48  -0.07550 -1.0 2.0
   74    72    73    48   0.20000  1.0 3.0
   74    72    73    62   0.34400  1.0 1.0
   74    72    73    62   0.09450 -1.0 2.0
   74    72    73    62   0.11100  1.0 3.0
   74    72    73    82   0.86500  1.0 1.0
   74    72    73    82  -0.17500 -1.0 2.0
   74    72    73    82   0.20800  1.0 3.0
   74    72    78    79   0.15000  1.0 3.0
   74    72    78    80   0.15000  1.0 3.0
   74    72    78    81   0.15000  1.0 3.0
   78    72    73    48   0.56750  1.0 1.0
   78    72    73    48  -0.07550 -1.0 2.0
   78    72    73    48   0.20000  1.0 3.0
   78    72    73    62   0.34400  1.0 1.0
   78    72    73    62   0.09450 -1.0 2.0
   78    72    73    62   0.11100  1.0 3.0
   78    72    73    82   0.86500  1.0 1.0
   78    72    73    82  -0.17500 -1.0 2.0
   78    72    73    82   0.20800  1.0 3.0
   78    72    74    75   0.15000  1.0 3.0
   78    72    74    76   0.15000  1.0 3.0
   78    72    74    77   0.15000  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    41  -0.09450  1.0 1.0
   40    33    38    41  -1.12950 -1.0 2.0
   40    33    38    41   0.54000  1.0 3.0
   40    33    38    51   0.62750  1.0 1.0
   40    33    38    51  -0.30950 -1.0 2.0
   40    33    38    51   0.27300  1.0 3.0
   40    43    46    47   0.00000  1.0 1.0
   40    43    46    50   0.39000  1.0 1.0
   40    43    46    50  -0.05800 -1.0 2.0
   40    43    46    50  -0.55150  1.0 3.0
   40    43    61    53  -1.83450  1.0 1.0
   40    43    61    53  -0.02700 -1.0 2.0
   40    43    61    53  -0.20100  1.0 3.0
   43    46   -50    53   7.00000 -1.0 2.0
   43    46    50    55   7.00000 -1.0 2.0
   44    43    46    47   0.33100  1.0 3.0
   44    43    46    50   0.00000  1.0 1.0
   44    43    61    53   0.08050  1.0 3.0
   46    43   -61    53  -0.82050  1.0 1.0
   46    43   -61    53   0.00600 -1.0 2.0
   46    43   -61    53   0.04400  1.0 3.0
   46    50    53    54   1.00000 -1.0 2.0
   46    50   -53    61  -0.56150  1.0 1.0
   46    50   -53    61   2.19150 -1.0 2.0
   46    50    55    56   0.00000  1.0 1.0
   46    50    55    57   0.00000  1.0 1.0
   46    50    55    58   0.00000  1.0 1.0
   47    46    50    53   7.00000 -1.0 2.0
   47    46    50    55   7.00000 -1.0 2.0
   50    53   -61    43   2.00000 -1.0 2.0
   53    50    55    56   0.15000  1.0 3.0
   53    50    55    57   0.15000  1.0 3.0
   53    50    55    58   0.15000  1.0 3.0
   54    53    61    43   3.00000 -1.0 2.0
   61    43    46    47   0.00000  1.0 1.0
   61    43   -46    50   0.39000  1.0 1.0
   61    43   -46    50  -0.05800 -1.0 2.0
   61    43   -46    50  -0.55150  1.0 3.0
   55    50    53    54  -0.64400  1.0 1.0
   55    50    53    54   0.26850 -1.0 2.0
   55    50    53    61  -0.15000  1.0 1.0
   55    50    53    61   0.89550 -1.0 2.0
   55    50    53    61  -0.06900  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    45    41    42  10.50000 -1.0 2.0
   51    60    59    62   1.10000 -1.0 2.0
   63    73    62    59   1.10000 -1.0 2.0
   43    47    46    50   1.10000 -1.0 2.0
   53    55    50    46   1.10000 -1.0 2.0
   50    61    53    54  10.50000 -1.0 2.0
END
