* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    153    256     464
    1     0 S   NP   _N1_     1    29.05277    94.13340   -19.22626
    2     1 S   H    _HN1     2     1.02774    78.91411   -79.85351
    3     1 S   H    _H1_     3     1.02961    98.21926    27.36278
    4     1 S   H    _H2_     4     1.02834    35.34030   135.23239
    5     1 S   CT   _CA1     5     1.50140   142.73532   167.77966
    6     5 S   HC   _HA1     6     1.09564   105.24183    39.70935
    7     5 S   CO3  _C1_     7     1.53885   112.40672   -80.55715
    8     7 S   O2Z  _O11     8     1.26375   114.99249   -40.33452
    9     7 S   O2Z  _O12     9     1.26245   115.00288   138.87383
   10     5 S   CT   _CB1    10     1.53116   107.42048   157.79472
   11    10 S   HC   HB11    11     1.09815   109.57553   -48.54551
   12    10 S   HC   HB12    12     1.09830   110.28871    68.11520
   13    10 S   CT   _CG1    13     1.52979   112.61529  -169.62293
   14    13 S   HC   HG11    14     1.09526   110.23342   -59.80848
   15    13 S   HC   HG12    15     1.09626   110.15859    59.28706
   16    13 S   C    _CD1    16     1.51819   112.28790   179.64890
   17    16 S   O    _OE1    17     1.22726   123.21724   -10.67831
   18    16 S   N    _N2_    18     1.38567   111.61716   169.68113
   19    18 S   H    _HN2    19     1.01592   118.94729     0.44675
   20    18 S   CT1  _CA2    20     1.46156   123.60290  -175.77460
   21    20 S   HC   _HA2    21     1.09726   109.34619   -13.08355
   22    20 S   C    _C2_    22     1.53359   108.47728  -128.97838
   23    22 S   O    _O2_    23     1.23020   122.23417  -146.29698
   24    20 S   CT   _CB2    32     1.53536   111.19528   108.84019
   25    24 S   HC   HB21    33     1.09523   110.03278    57.75294
   26    24 S   HC   HB22    34     1.09530   110.49371   175.82036
   27    22 S   N    _N3_    24     1.38514   113.38001    41.13857
   28    27 S   H    _HN3    25     1.01530   118.86832    -0.75251
   29    24 S   S    _SG2    35     1.82854   111.65144   -65.20114
   30    27 S   CT   _CA3    26     1.45444   123.44495   175.17245
   31    30 S   HC   HA31    27     1.09525   109.21585    24.74477
   32    30 S   HC   HA32    28     1.09496   107.12517   141.72451
   33    29 S   CT   _C20    36     1.82883   100.17498   141.47786
   34    33 S   HC   _H6_    37     1.09685   106.99844    47.51894
   35    30 S   CO3  _C3_    29     1.52921   113.13807   -98.73229
   36    35 S   O2Z  _O31    30     1.26401   115.41120   -44.97092
   37    35 S   O2Z  _O32    31     1.26359   114.99044   135.99358
   38    33 S   CT   _C19    38     1.55179   109.71762   164.76853
   39    38 S   HC   _H22    39     1.09631   113.07846    21.42050
   40    38 S   HC   _H23    40     1.09567   110.77818   -99.21198
   41    33 S   CT   _C21    69     1.55911   117.52282   -75.01244
   42    41 S   HC   _H7_    70     1.09852   107.25136   137.30054
   43    38 S   CT   _C18    41     1.52710   103.87007   141.01016
   44    43 S   HC   _H5_    42     1.10291   106.09236    75.82941
   45    41 S   OH   _O33    71     1.41279   114.98183    18.96822
   46    45 S   HO   _H24    72     0.97259   107.67786  -175.35173
   47    43 S   CT   _C17    43     1.52909   119.23684  -163.62474
   48    47 S   HC   _H4_    44     1.09775   109.51079    63.08702
   49    47 S   CT   _C16    45     1.52981   112.60559   -56.42978
   50    49 S   HC   _H20    46     1.09560   111.29177    53.75023
   51    49 S   HC   _H21    47     1.09768   110.05677   -64.59444
   52    47 S   CT   _C8_    60     1.55874   108.64917  -177.22794
   53    52 S   HC   _H3_    61     1.10119   107.53274    62.09762
   54    49 S   CT   _C15    48     1.52561   109.84426   174.24721
   55    54 S   HC   _H18    49     1.09763   108.97894   -75.36837
   56    54 S   HC   _H19    50     1.09679   108.58708   167.89918
   57    52 S   CT   _C7_    62     1.55211   111.20509   -53.82033
   58    57 S   HC   _H13    63     1.09660   109.77072   -73.60977
   59    57 S   HC   _H14    64     1.09621   110.18108   169.95484
   60    54 S   CA   _C14    51     1.50955   114.05331    45.13272
   61    57 S   CT   _C6_    65     1.54080   113.63381    49.99447
   62    61 S   HC   _H11    66     1.09791   108.25107    69.80887
   63    61 S   HC   _H12    67     1.09668   109.53454  -174.75133
   64    60 S   CA   _C13    52     1.40636   117.69492   167.55359
   65    64 S   HA   _H17    53     1.08741   119.66397    -0.99936
   66    43 S   CT   _C5_    68     1.54071   103.37205   -38.52270
   67    64 S   CA   _C12    54     1.39085   120.26805   179.11685
   68    66 S   CT   _C4_    73     1.54947   115.10656   -70.41055
   69    68 S   HC   _H8_    74     1.09259   112.85434    57.95292
   70    68 S   HC   _H9_    75     1.09319   112.72748   -62.83526
   71    68 S   HC   _H10    76     1.09578   110.58018   177.85899
   72    67 S   CA   _C11    55     1.38678   120.47911    -0.01978
   73    72 S   HA   _H16    56     1.08627   120.54591   179.33973
   74    67 S   OH   _O34    77     1.36563   121.20377   179.76845
   75    74 S   HO   _H25    78     0.97234   108.59352     0.15826
   76    72 S   CA   _C10    57     1.39624   119.63555    -0.41307
   77    76 S   HA   _H15    58     1.08592   117.51081   178.91827
   78    60 S   CA   _C9_    59     1.41319   122.28719   -14.86945
  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  10   5   4   3
  14   8   2   1   1  14   6   5  15   6  20   7   4   1  18   9
  12   6   5  15   7   8   4   3  10   6   5   8   8   3   2   8
   4   4   7   3   2   1   1   6   4   2   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    66    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    47    61    66    41    42    45    46    68  
   38    39    40    43    66    41    42    45  
   36    37  
   37  
    0  
   39    40    43    44    47    48    49    52    61    66    41    42    45    68  
   40    43    44    47    66    41  
   43    44    47    66    41  
   42    45    46    68    69    70    71    43    44    47    57    61    62    63    66  
   45    46    68    43    61    66  
   44    47    48    49    50    51    54    78    52    53    57    61    62    63    66    45    68    69    70    71  
   47    48    49    52    61    66    68  
   46    68    61    66  
   66  
   48    49    50    51    54    55    56    60    76    78    52    53    57    58    59    61    66    68  
   49    50    51    54    78    52    53    57    66  
   50    51    54    55    56    60    64    78    52    53    57    66  
   51    54    55    56    60    52  
   54    55    56    60    52  
   53    57    58    59    61    62    63    66    54    60    64    72    76    77    78  
   57    58    59    61    60    76    78  
   55    56    60    64    65    67    76    78  
   56    60    64    78  
   60    64    78  
   58    59    61    62    63    66    68    60    76    78  
   59    61    62    63    66    78  
   61    62    63    66    78  
   64    65    67    72    76    77    78    74  
   62    63    66    68    69    70    71    78  
   63    66    68  
   66    68  
   65    67    72    73    76    78    74    75  
   67    72    78    74  
   68    69    70    71  
   72    73    76    77    78    74    75  
   69    70    71  
   70    71  
   71  
    0  
   73    76    77    78    74    75  
   76    77    78    74  
   75    76  
    0  
   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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    66   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    60   317.000  1.510
   60    64   469.000  1.400
   60    78   469.000  1.400
   64    65   367.000  1.080
   64    67   469.000  1.400
   67    72   469.000  1.400
   67    74   450.000  1.364
   72    73   367.000  1.080
   72    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    52   317.000  1.510
   52    53   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   268.000  1.529
   66    41   268.000  1.529
   66    68   268.000  1.529
   41    42   340.000  1.090
   41    45   320.000  1.410
   45    46   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   74    75   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    66    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    45    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    47    58.35000  112.70000
   38    43    66    58.35000  112.70000
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    58.35000  112.70000
   43    47    52    58.35000  112.70000
   43    66    61    58.35000  112.70000
   43    66    41    58.35000  112.70000
   43    66    68    58.35000  112.70000
   47    43    44    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    54    58.35000  112.70000
   47    52    78    70.00000  112.17500
   47    52    53    37.50000  110.70000
   47    52    57    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    60    70.00000  112.17500
   51    49    50    33.00000  107.80000
   54    49    50    37.50000  110.70000
   54    49    51    37.50000  110.70000
   54    60    64    70.00000  120.00000
   54    60    78    70.00000  120.00000
   56    54    55    33.00000  107.80000
   60    54    55    35.00000  109.50000
   60    54    56    35.00000  109.50000
   60    64    65    35.00000  120.00000
   60    64    67    63.00000  120.00000
   60    78    76    63.00000  120.00000
   60    78    52    70.00000  120.00000
   64    67    72    63.00000  120.00000
   64    67    74    70.00000  120.00000
   67    64    65    35.00000  120.00000
   67    72    73    35.00000  120.00000
   67    72    76    63.00000  120.00000
   67    74    75    35.00000  113.00000
   72    76    77    35.00000  120.00000
   72    76    78    63.00000  120.00000
   76    72    73    35.00000  120.00000
   76    78    52    70.00000  120.00000
   78    60    64    63.00000  120.00000
   78    76    77    35.00000  120.00000
   78    52    53    35.00000  109.50000
   78    52    57    70.00000  112.17500
   52    47    48    37.50000  110.70000
   52    47    49    58.35000  112.70000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    61    58.35000  112.70000
   57    52    53    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    66    58.35000  112.70000
   59    57    58    33.00000  107.80000
   61    57    58    37.50000  110.70000
   61    57    59    37.50000  110.70000
   61    66    41    58.35000  112.70000
   61    66    68    58.35000  112.70000
   63    61    62    33.00000  107.80000
   66    43    44    37.50000  110.70000
   66    43    47    58.35000  112.70000
   66    61    62    37.50000  110.70000
   66    61    63    37.50000  110.70000
   66    41    42    37.50000  110.70000
   66    41    45    50.00000  109.50000
   66    68    69    37.50000  110.70000
   66    68    70    37.50000  110.70000
   66    68    71    37.50000  110.70000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    45    46    55.00000  108.50000
   45    41    42    35.00000  109.50000
   68    66    41    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   74    67    72    70.00000  120.00000
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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    66   0.44750  1.0 1.0
   29    33    41    66  -0.17800 -1.0 2.0
   29    33    41    66   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    45   0.56750  1.0 1.0
   29    33    41    45  -0.07550 -1.0 2.0
   29    33    41    45   0.20000  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    47   0.56750  1.0 1.0
   33    38    43    47  -0.07550 -1.0 2.0
   33    38    43    47   0.20000  1.0 3.0
   33    38   -43    66   0.56750  1.0 1.0
   33    38   -43    66  -0.07550 -1.0 2.0
   33    38   -43    66   0.20000  1.0 3.0
   33    41    45    46  -0.11600  1.0 1.0
   33    41    45    46  -0.09450 -1.0 2.0
   33    41    45    46   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    66   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    45   0.23400  1.0 3.0
   38    33   -41    66   0.56750  1.0 1.0
   38    33   -41    66  -0.07550 -1.0 2.0
   38    33   -41    66   0.20000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    45   0.86500  1.0 1.0
   38    33    41    45  -0.17500 -1.0 2.0
   38    33    41    45   0.20800  1.0 3.0
   38    43    47    48   0.15000  1.0 3.0
   38    43    47    49   0.56750  1.0 1.0
   38    43    47    49  -0.07550 -1.0 2.0
   38    43    47    49   0.20000  1.0 3.0
   38    43    47    52   0.56750  1.0 1.0
   38    43    47    52  -0.07550 -1.0 2.0
   38    43    47    52   0.20000  1.0 3.0
   38    43    66    61   0.56750  1.0 1.0
   38    43    66    61  -0.07550 -1.0 2.0
   38    43    66    61   0.20000  1.0 3.0
   38    43   -66    41   0.56750  1.0 1.0
   38    43   -66    41  -0.07550 -1.0 2.0
   38    43   -66    41   0.20000  1.0 3.0
   38    43    66    68   0.56750  1.0 1.0
   38    43    66    68  -0.07550 -1.0 2.0
   38    43    66    68   0.20000  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    47   0.15000  1.0 3.0
   39    38    43    66   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    47   0.15000  1.0 3.0
   40    38    43    66   0.15000  1.0 3.0
   43    47    49    50   0.15000  1.0 3.0
   43    47    49    51   0.15000  1.0 3.0
   43    47    49    54   0.56750  1.0 1.0
   43    47    49    54  -0.07550 -1.0 2.0
   43    47    49    54   0.20000  1.0 3.0
   43    47    52    78  -0.03700  1.0 1.0
   43    47    52    78   0.37200 -1.0 2.0
   43    47    52    78  -0.47300  1.0 3.0
   43    47    52    53   0.15000  1.0 3.0
   43    47    52    57   0.56750  1.0 1.0
   43    47    52    57  -0.07550 -1.0 2.0
   43    47    52    57   0.20000  1.0 3.0
   43    66   -41    33   0.56750  1.0 1.0
   43    66   -41    33  -0.07550 -1.0 2.0
   43    66   -41    33   0.20000  1.0 3.0
   43    66    41    42   0.15000  1.0 3.0
   43    66    41    45   0.86500  1.0 1.0
   43    66    41    45  -0.17500 -1.0 2.0
   43    66    41    45   0.20800  1.0 3.0
   43    66    68    69   0.15000  1.0 3.0
   43    66    68    70   0.15000  1.0 3.0
   43    66    68    71   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    52   0.15000  1.0 3.0
   44    43    66    61   0.15000  1.0 3.0
   44    43    66    41   0.15000  1.0 3.0
   44    43    66    68   0.15000  1.0 3.0
   47    43    66    61   0.56750  1.0 1.0
   47    43    66    61  -0.07550 -1.0 2.0
   47    43    66    61   0.20000  1.0 3.0
   47    43    66    41   0.56750  1.0 1.0
   47    43    66    41  -0.07550 -1.0 2.0
   47    43    66    41   0.20000  1.0 3.0
   47    43    66    68   0.56750  1.0 1.0
   47    43    66    68  -0.07550 -1.0 2.0
   47    43    66    68   0.20000  1.0 3.0
   47    49    54    55   0.15000  1.0 3.0
   47    49    54    56   0.15000  1.0 3.0
   47    49    54    60  -0.03700  1.0 1.0
   47    49    54    60   0.37200 -1.0 2.0
   47    49    54    60  -0.47300  1.0 3.0
   47    52    57    58   0.15000  1.0 3.0
   47    52    57    59   0.15000  1.0 3.0
   47    52   -57    61   0.56750  1.0 1.0
   47    52   -57    61  -0.07550 -1.0 2.0
   47    52   -57    61   0.20000  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    54   0.15000  1.0 3.0
   48    47    52    78   0.43200  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    57   0.15000  1.0 3.0
   49    47    52    78  -0.03700  1.0 1.0
   49    47    52    78   0.37200 -1.0 2.0
   49    47    52    78  -0.47300  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    57   0.56750  1.0 1.0
   49    47    52    57  -0.07550 -1.0 2.0
   49    47    52    57   0.20000  1.0 3.0
   49    54    60    64   0.04150 -1.0 2.0
   49    54   -60    78   0.04150 -1.0 2.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   50    49    54    60   0.43200  1.0 3.0
   51    49    54    55   0.15000  1.0 3.0
   51    49    54    56   0.15000  1.0 3.0
   51    49    54    60   0.43200  1.0 3.0
   54    60    64    65   3.62500 -1.0 2.0
   54    60    64    67   3.62500 -1.0 2.0
   54    60    78    76   3.62500 -1.0 2.0
   54    60    78    52   3.62500 -1.0 2.0
   55    54    60    64   0.00000  1.0 1.0
   55    54    60    78   0.00000  1.0 1.0
   56    54    60    64   0.00000  1.0 1.0
   56    54    60    78   0.00000  1.0 1.0
   60    64    67    72   3.62500 -1.0 2.0
   60    64    67    74   3.62500 -1.0 2.0
   60    78   -52    47   0.04150 -1.0 2.0
   60    78    52    53   0.00000  1.0 1.0
   60    78    52    57   0.04150 -1.0 2.0
   64    60    78    76   3.62500 -1.0 2.0
   64    60    78    52   3.62500 -1.0 2.0
   64    67    72    73   3.62500 -1.0 2.0
   64    67   -72    76   3.62500 -1.0 2.0
   64    67    74    75   0.84100 -1.0 2.0
   65    64    67    72   3.62500 -1.0 2.0
   65    64    67    74   3.62500 -1.0 2.0
   67    72    76    77   3.62500 -1.0 2.0
   67    72    76    78   3.62500 -1.0 2.0
   72    67    74    75   0.84100 -1.0 2.0
   72    76   -78    60   3.62500 -1.0 2.0
   72    76    78    52   3.62500 -1.0 2.0
   73    72    76    77   3.62500 -1.0 2.0
   73    72    76    78   3.62500 -1.0 2.0
   76    78    52    47   0.04150 -1.0 2.0
   76    78    52    53   0.00000  1.0 1.0
   76    78    52    57   0.04150 -1.0 2.0
   77    76    78    60   3.62500 -1.0 2.0
   77    76    78    52   3.62500 -1.0 2.0
   78    60    64    65   3.62500 -1.0 2.0
   78    60   -64    67   3.62500 -1.0 2.0
   78    52    57    58   0.43200  1.0 3.0
   78    52    57    59   0.43200  1.0 3.0
   78    52    57    61  -0.03700  1.0 1.0
   78    52    57    61   0.37200 -1.0 2.0
   78    52    57    61  -0.47300  1.0 3.0
   52    47    49    50   0.15000  1.0 3.0
   52    47    49    51   0.15000  1.0 3.0
   52    47   -49    54   0.56750  1.0 1.0
   52    47   -49    54  -0.07550 -1.0 2.0
   52    47   -49    54   0.20000  1.0 3.0
   52    57    61    62   0.15000  1.0 3.0
   52    57    61    63   0.15000  1.0 3.0
   52    57    61    66   0.56750  1.0 1.0
   52    57    61    66  -0.07550 -1.0 2.0
   52    57    61    66   0.20000  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    61   0.15000  1.0 3.0
   57    61   -66    43   0.56750  1.0 1.0
   57    61   -66    43  -0.07550 -1.0 2.0
   57    61   -66    43   0.20000  1.0 3.0
   57    61    66    41   0.56750  1.0 1.0
   57    61    66    41  -0.07550 -1.0 2.0
   57    61    66    41   0.20000  1.0 3.0
   57    61    66    68   0.56750  1.0 1.0
   57    61    66    68  -0.07550 -1.0 2.0
   57    61    66    68   0.20000  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    63   0.15000  1.0 3.0
   58    57    61    66   0.15000  1.0 3.0
   59    57    61    62   0.15000  1.0 3.0
   59    57    61    63   0.15000  1.0 3.0
   59    57    61    66   0.15000  1.0 3.0
   61    66    41    33   0.56750  1.0 1.0
   61    66    41    33  -0.07550 -1.0 2.0
   61    66    41    33   0.20000  1.0 3.0
   61    66    41    42   0.15000  1.0 3.0
   61    66    41    45   0.86500  1.0 1.0
   61    66    41    45  -0.17500 -1.0 2.0
   61    66    41    45   0.20800  1.0 3.0
   61    66    68    69   0.15000  1.0 3.0
   61    66    68    70   0.15000  1.0 3.0
   61    66    68    71   0.15000  1.0 3.0
   62    61    66    43   0.15000  1.0 3.0
   62    61    66    41   0.15000  1.0 3.0
   62    61    66    68   0.15000  1.0 3.0
   63    61    66    43   0.15000  1.0 3.0
   63    61    66    41   0.15000  1.0 3.0
   63    61    66    68   0.15000  1.0 3.0
   66    43    47    48   0.15000  1.0 3.0
   66    43    47    49   0.56750  1.0 1.0
   66    43    47    49  -0.07550 -1.0 2.0
   66    43    47    49   0.20000  1.0 3.0
   66    43   -47    52   0.56750  1.0 1.0
   66    43   -47    52  -0.07550 -1.0 2.0
   66    43   -47    52   0.20000  1.0 3.0
   66    41    45    46  -0.11600  1.0 1.0
   66    41    45    46  -0.09450 -1.0 2.0
   66    41    45    46   0.21250  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33   -38    43   0.56750  1.0 1.0
   41    33   -38    43  -0.07550 -1.0 2.0
   41    33   -38    43   0.20000  1.0 3.0
   41    66    68    69   0.15000  1.0 3.0
   41    66    68    70   0.15000  1.0 3.0
   41    66    68    71   0.15000  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   68    66    41    33   0.56750  1.0 1.0
   68    66    41    33  -0.07550 -1.0 2.0
   68    66    41    33   0.20000  1.0 3.0
   68    66    41    42   0.15000  1.0 3.0
   68    66    41    45   0.86500  1.0 1.0
   68    66    41    45  -0.17500 -1.0 2.0
   68    66    41    45   0.20800  1.0 3.0
   74    67    72    73   3.62500 -1.0 2.0
   74    67    72    76   3.62500 -1.0 2.0
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
   64    78    60    54   4.00000 -1.0 2.0
   67    65    64    60   1.10000 -1.0 2.0
   72    74    67    64   4.00000 -1.0 2.0
   76    73    72    67   1.10000 -1.0 2.0
   78    77    76    72   1.10000 -1.0 2.0
   76    52    78    60   4.00000 -1.0 2.0
END
