* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    142    235     424
    1     0 S   NP   _N1_     1    28.81671    98.14623   -23.26871
    2     1 S   H    _HN1     2     1.02826    50.57406   169.60433
    3     1 S   H    _H1_     3     1.02793   106.48874   -90.52494
    4     1 S   H    _H2_     4     1.02948    59.40247    11.41711
    5     1 S   CT   _CA1     5     1.50138   141.09328    96.37797
    6     5 S   HC   _HA1     6     1.09575   105.15025   111.51452
    7     5 S   CO3  _C1_     7     1.53768   112.43423    -8.64915
    8     7 S   O2Z  _O11     8     1.26376   115.00141   -42.77039
    9     7 S   O2Z  _O12     9     1.26237   114.94247   136.17183
   10     5 S   CT   _CB1    10     1.53056   107.38882  -130.55707
   11    10 S   HC   HB11    11     1.09841   109.29847   -49.50461
   12    10 S   HC   HB12    12     1.09810   110.48976    67.08326
   13    10 S   CT   _CG1    13     1.53015   112.64856  -170.45033
   14    13 S   HC   HG11    14     1.09573   110.70423   -67.56099
   15    13 S   HC   HG12    15     1.09671   109.71731    51.68478
   16    13 S   C    _CD1    16     1.51822   112.01744   172.12094
   17    16 S   O    _OE1    17     1.22759   123.18952    11.29013
   18    16 S   N    _N2_    18     1.38633   111.80517  -168.56630
   19    18 S   H    _HN2    19     1.01572   119.04681     0.79721
   20    18 S   CT1  _CA2    20     1.46258   123.45292   177.09061
   21    20 S   HC   _HA2    21     1.09742   109.20374     9.13441
   22    20 S   C    _C2_    22     1.53737   109.17832  -106.43764
   23    22 S   O    _O2_    23     1.23100   122.20395  -150.94240
   24    20 S   CT   _CB2    32     1.53461   111.49820   131.06776
   25    24 S   HC   HB21    33     1.09501   109.54608    57.14586
   26    24 S   HC   HB22    34     1.09439   109.70487   176.03276
   27    22 S   N    _N3_    24     1.38302   114.01460    36.63919
   28    27 S   H    _HN3    25     1.01526   119.62425    -3.34825
   29    24 S   S    _SG2    35     1.83254   111.05179   -64.64935
   30    27 S   CT   _CA3    26     1.45276   123.26889   177.15545
   31    30 S   HC   HA31    27     1.09548   107.52801   -64.48662
   32    30 S   HC   HA32    28     1.09557   107.97952    51.96564
   33    29 S   CT   _C18    36     1.85241   102.21130   168.59492
   34    33 S   OM   _O38    37     1.31657   111.75993   -62.18888
   35    30 S   CO3  _C3_    29     1.52968   114.05724   173.97094
   36    35 S   O2Z  _O31    30     1.26384   116.09467     0.07913
   37    35 S   O2Z  _O32    31     1.26427   114.41357  -179.87028
   38    33 S   CM   _C19    38     1.52895   109.31841   177.19153
   39    33 S   CO4  _C17    70     1.53722   107.25352    57.08682
   40    39 S   O    _O33    71     1.23438   123.44015   -89.22296
   41    38 S   CMA  _C20    39     1.36393   126.87346  -115.78464
   42    41 S   OM   _O36    40     1.26876   130.35305   178.53901
   43    38 S   C    _C23    74     1.50895   117.56347    64.34364
   44    43 S   O    _O37    75     1.22645   122.68217   -75.69406
   45    41 S   CT   _C21    41     1.55038   118.14082    -0.70109
   46    43 S   N    _N4_    76     1.37561   113.14479   104.18367
   47    46 S   H    _H13    77     1.01427   121.56667     0.72362
   48    46 S   H    _H14    78     1.01231   120.66837   179.94405
   49    45 S   CO4  _C22    42     1.53981   111.34647   -94.22023
   50    49 S   O    _O34    43     1.22961   122.57675   -14.91949
   51    45 S   OH   _O35    72     1.43659   111.41052   148.02922
   52    51 S   HO   _H12    73     0.97478   105.99445    35.28348
   53    49 S   CA   _C13    44     1.50075   118.30298   166.23366
   54    53 S   CA   _C14    45     1.40385   119.76174   -13.13183
   55    53 S   CA   _C12    56     1.41061   120.59292   166.90625
   56    54 S   CA   _C5_    46     1.42185   119.23626   177.19970
   57    55 S   OH   _O39    57     1.37723   120.57704    -0.50358
   58    57 S   HO   _H15    58     0.97262   109.79757     4.00223
   59    54 S   CT   _C15    65     1.51551   120.93660    -1.47153
   60    59 S   HC   _H10    66     1.09798   107.49269   106.48631
   61    59 S   HC   _H11    67     1.09694   109.57012  -137.04367
   62    56 S   CA   _C6_    47     1.43110   120.82421     4.88267
   63    56 S   CT   _C4_    61     1.51836   119.97779  -176.61910
   64    63 S   HC   _H4_    62     1.09444   109.94189  -102.58117
   65    63 S   HC   _H5_    63     1.09245   113.31434    18.85662
   66    63 S   HC   _H6_    64     1.09510   110.78240   135.88455
   67    45 S   CT   _C16    68     1.52299   112.15948    27.94598
   68    67 S   HC   _H3_    69     1.09933   110.26288    61.70948
   69    62 S   CA   _C7_    48     1.41871   122.03808   175.91721
   70    69 S   HA   _H7_    49     1.08787   121.00280    -1.19926
   71    69 S   CA   _C8_    50     1.39342   122.73384   179.40095
   72    71 S   HA   _H8_    51     1.08598   120.09691  -179.96044
   73    71 S   CA   _C9_    52     1.38080   119.56968     0.15195
   74    73 S   HA   _H9_    53     1.08599   119.45537  -179.95577
   75    73 S   CA   _C10    54     1.39567   119.30825     0.36045
   76    62 S   CA   _C11    55     1.41943   119.91602    -3.84288
   77    75 S   OH   _O40    59     1.37460   117.26001   179.59652
   78    77 S   HO   _H16    60     0.97158   109.40532     0.07402
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  13  12   4  13   5   5   3  12   2   1   1
  12   5   5   1  13  15  10  14   4   1   6   3   2  12   5   2
   1   1   1   1   7   4   6   3   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    67    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    59    67    68    39    40    43    44    46  
   38    41    67    39    40    43  
   36    37  
   37  
    0  
   41    42    45    49    67    39    40    51    43    44    46    47    48  
   40    51    43    41    45    49    54    59    60    61    67    68  
   45    59    67    68  
   42    45    49    50    53    59    67    68    51    52    43    44    46  
   45    49    67    51    43  
   44    46    47    48    45  
   46    47    48  
   49    50    53    54    55    59    60    61    67    68    51    52  
   47    48  
   48  
    0  
   50    53    54    56    76    55    57    59    67    68    51    52  
   53    54    55    67    51  
   52    53    59    67    68  
   67  
   54    56    62    75    76    55    57    58    63    59    60    61    67  
   56    62    69    76    55    57    63    64    65    66    59    60    61    67    68  
   57    58    77    59    56    62    69    73    75    76  
   62    69    70    71    75    76    63    64    65    66    59    60    61    67  
   58    62    75    76  
   76  
   60    61    67    68    62    63  
   61    67    68  
   67    68  
   69    70    71    72    73    75    76    77    63    64    65    66  
   64    65    66    69    76  
   65    66  
   66  
    0  
   68  
    0  
   70    71    72    73    74    75    76  
   71    72    73    76  
   72    73    74    75    76    77  
   73    74    75  
   74    75    76    77    78  
   75    76    77  
   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  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   45   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   47   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   48   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700   0.000000   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   317.000  1.522
   38    41   465.000  1.376
   38    43   410.000  1.444
   41    42   745.000  1.250
   41    45   270.000  1.512
   45    49   317.000  1.522
   45    67   268.000  1.529
   45    51   320.000  1.410
   49    50   570.000  1.229
   49    53   310.000  1.470
   53    54   469.000  1.400
   53    55   469.000  1.400
   54    56   469.000  1.400
   54    59   317.000  1.510
   56    62   469.000  1.400
   56    63   317.000  1.510
   62    69   469.000  1.400
   62    76   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   469.000  1.400
   75    77   450.000  1.364
   76    55   469.000  1.400
   55    57   450.000  1.364
   57    58   553.000  0.945
   77    78   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    67   268.000  1.529
   67    68   340.000  1.090
   67    39   317.000  1.522
   39    40   570.000  1.229
   51    52   553.000  0.945
   43    44   570.000  1.229
   43    46   490.000  1.335
   46    47   434.000  1.010
   46    48   434.000  1.010
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  110.18000
   33    38    41    70.00000  124.00000
   33    38    43    70.00000  119.70000
   33    39    67    70.00000  116.00000
   33    39    40    80.00000  120.40000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    45    65.00000  122.18000
   38    43    44    80.00000  125.30000
   38    43    46    80.00000  111.56200
   41    45    49    70.00000  109.06800
   41    45    67    70.00000  112.02700
   41    45    51    90.00000  110.39200
   45    41    42    85.00000  112.85300
   45    49    50    80.00000  120.40000
   45    49    53    65.00000  115.47100
   45    67    59    58.35000  112.70000
   45    67    68    37.50000  110.70000
   45    67    39    63.00000  111.10000
   45    51    52    55.00000  108.50000
   49    53    54    60.00000  119.52600
   49    53    55    60.00000  119.52600
   53    49    50    75.00000  123.78400
   53    54    56    63.00000  120.00000
   53    54    59    70.00000  120.00000
   53    55    76    63.00000  120.00000
   53    55    57    70.00000  120.00000
   54    56    62    63.00000  120.00000
   54    56    63    70.00000  120.00000
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    67    70.00000  112.17500
   56    62    69    63.00000  120.00000
   56    62    76    63.00000  120.00000
   56    63    64    35.00000  109.50000
   56    63    65    35.00000  109.50000
   56    63    66    35.00000  109.50000
   62    69    70    35.00000  120.00000
   62    69    71    63.00000  120.00000
   62    76    75    63.00000  120.00000
   62    76    55    63.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    63.00000  120.00000
   73    75    77    70.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    55    63.00000  120.00000
   75    77    78    35.00000  113.00000
   76    62    69    63.00000  120.00000
   76    55    57    70.00000  120.00000
   55    53    54    63.00000  120.00000
   55    57    58    35.00000  113.00000
   77    75    76    70.00000  120.00000
   63    56    62    70.00000  120.00000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   59    54    56    70.00000  120.00000
   59    67    68    37.50000  110.70000
   59    67    39    63.00000  111.10000
   61    59    60    33.00000  107.80000
   67    45    49    63.00000  111.10000
   67    59    60    37.50000  110.70000
   67    59    61    37.50000  110.70000
   67    39    40    80.00000  120.40000
   39    33    34    90.00000  108.74100
   39    33    38    70.00000  109.06800
   39    67    68    35.00000  109.50000
   51    45    49    90.00000  109.61100
   51    45    67    50.00000  109.50000
   43    38    41    60.00000  120.04000
   43    46    47    35.00000  119.80000
   43    46    48    35.00000  119.80000
   46    43    44    80.00000  122.90000
   48    46    47    35.00000  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   0.13850  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    43   0.09700  1.0 1.0
   29    33    38    43   0.15600 -1.0 2.0
   29    33    38    43  -0.50800  1.0 3.0
   29    33    39    67   0.65300  1.0 1.0
   29    33    39    67  -0.03850 -1.0 2.0
   29    33    39    67   0.33900  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   33    38    43    44  -0.64400  1.0 1.0
   33    38    43    44   0.26850 -1.0 2.0
   33    38    43    46   1.59650  1.0 1.0
   33    38    43    46   0.42750 -1.0 2.0
   33    38    43    46  -0.48350  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    43   0.09700  1.0 1.0
   34    33    38    43   0.15600 -1.0 2.0
   34    33    38    43  -0.50800  1.0 3.0
   34    33    39    67   0.55300  1.0 1.0
   34    33    39    67   1.25850 -1.0 2.0
   34    33    39    67  -0.23600  1.0 3.0
   34    33    39    40   0.30150 -1.0 2.0
   38    33    39    67   0.65300  1.0 1.0
   38    33    39    67  -0.03850 -1.0 2.0
   38    33    39    67   0.33900  1.0 3.0
   38    33    39    40   0.30150 -1.0 2.0
   38    41    45    49  -0.51250  1.0 1.0
   38    41    45    49  -0.88800 -1.0 2.0
   38    41    45    49   0.08850  1.0 3.0
   38    41   -45    67   0.09850  1.0 1.0
   38    41   -45    67   0.15250 -1.0 2.0
   38    41   -45    67  -0.50650  1.0 3.0
   38    41    45    51   0.67800  1.0 1.0
   38    41    45    51   0.47050 -1.0 2.0
   38    41    45    51  -0.62500  1.0 3.0
   38    43    46    47   2.56700 -1.0 2.0
   38    43    46    48   2.56700 -1.0 2.0
   41    38    43    44   1.00000 -1.0 2.0
   41    38    43    46   0.49500  1.0 1.0
   41    38    43    46   1.31600 -1.0 2.0
   41    38    43    46  -0.02300  1.0 3.0
   41    45    49    50   0.30150 -1.0 2.0
   41    45    49    53   0.65300  1.0 1.0
   41    45    49    53  -0.03850 -1.0 2.0
   41    45    49    53   0.33900  1.0 3.0
   41    45    67    59   0.34400  1.0 1.0
   41    45    67    59   0.09450 -1.0 2.0
   41    45    67    59   0.11100  1.0 3.0
   41    45    67    68   0.15000  1.0 3.0
   41    45    67    39  -0.98800  1.0 1.0
   41    45    67    39   0.48800 -1.0 2.0
   41    45    67    39   0.76800  1.0 3.0
   41    45    51    52  -0.07800  1.0 1.0
   41    45    51    52  -0.21500 -1.0 2.0
   41    45    51    52  -0.03150  1.0 3.0
   42    41    45    49   0.09700  1.0 1.0
   42    41    45    49   0.15600 -1.0 2.0
   42    41    45    49  -0.50800  1.0 3.0
   42    41    45    67   0.09700  1.0 1.0
   42    41    45    67   0.15600 -1.0 2.0
   42    41    45    67  -0.50800  1.0 3.0
   42    41    45    51   0.09700  1.0 1.0
   42    41    45    51   0.15600 -1.0 2.0
   42    41    45    51  -0.50800  1.0 3.0
   45    49    53    54   2.26350  1.0 1.0
   45    49    53    54   0.76750 -1.0 2.0
   45    49    53    54   0.22500  1.0 3.0
   45    49    53    55   2.26350  1.0 1.0
   45    49    53    55   0.76750 -1.0 2.0
   45    49    53    55   0.22500  1.0 3.0
   45    67   -39    33   0.60050  1.0 1.0
   45    67   -39    33   0.05600 -1.0 2.0
   45    67   -39    33   0.26150  1.0 3.0
   45    67    39    40   0.30150 -1.0 2.0
   49    45    67    59  -0.95700  1.0 1.0
   49    45    67    59  -0.18200 -1.0 2.0
   49    45    67    59   0.29450  1.0 3.0
   49    45    67    68  -0.11250  1.0 3.0
   49    45    67    39   0.11950  1.0 1.0
   49    45    67    39   0.20300 -1.0 2.0
   49    45    67    39  -0.70800  1.0 3.0
   49    45    51    52   0.91850  1.0 1.0
   49    45    51    52   0.57950  1.0 3.0
   49    53    54    56   3.62500 -1.0 2.0
   49    53   -54    59   3.62500 -1.0 2.0
   49    53    55    76   3.62500 -1.0 2.0
   49    53    55    57   3.62500 -1.0 2.0
   50    49    53    54   1.05000 -1.0 2.0
   50    49    53    55   1.05000 -1.0 2.0
   53    54    56    62   3.62500 -1.0 2.0
   53    54    56    63   3.62500 -1.0 2.0
   53    54    59    60   0.00000  1.0 1.0
   53    54    59    61   0.00000  1.0 1.0
   53    54    59    67   0.04150 -1.0 2.0
   53    55    57    58   0.84100 -1.0 2.0
   54    53    55    76   3.62500 -1.0 2.0
   54    53    55    57   3.62500 -1.0 2.0
   54    56    62    69   3.62500 -1.0 2.0
   54    56   -62    76   3.62500 -1.0 2.0
   54    56    63    64   0.00000  1.0 1.0
   54    56    63    65   0.00000  1.0 1.0
   54    56    63    66   0.00000  1.0 1.0
   54    59   -67    45  -0.03700  1.0 1.0
   54    59   -67    45   0.37200 -1.0 2.0
   54    59   -67    45  -0.47300  1.0 3.0
   54    59    67    68   0.43200  1.0 3.0
   54    59    67    39   0.56750  1.0 1.0
   54    59    67    39  -0.07550 -1.0 2.0
   54    59    67    39   0.20000  1.0 3.0
   56    54    59    60   0.00000  1.0 1.0
   56    54    59    61   0.00000  1.0 1.0
   56    54    59    67   0.04150 -1.0 2.0
   56    62    69    70   3.62500 -1.0 2.0
   56    62    69    71   3.62500 -1.0 2.0
   56    62    76    75   3.62500 -1.0 2.0
   56    62    76    55   3.62500 -1.0 2.0
   62    56    63    64   0.00000  1.0 1.0
   62    56    63    65   0.00000  1.0 1.0
   62    56    63    66   0.00000  1.0 1.0
   62    69    71    72   3.62500 -1.0 2.0
   62    69    71    73   3.62500 -1.0 2.0
   62    76   -55    53   3.62500 -1.0 2.0
   62    76    55    57   3.62500 -1.0 2.0
   69    62    76    75   3.62500 -1.0 2.0
   69    62    76    55   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   69    71   -73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75   -76    62   3.62500 -1.0 2.0
   73    75    76    55   3.62500 -1.0 2.0
   73    75    77    78   0.84100 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    76    55    53   3.62500 -1.0 2.0
   75    76    55    57   3.62500 -1.0 2.0
   76    62    69    70   3.62500 -1.0 2.0
   76    62   -69    71   3.62500 -1.0 2.0
   76    75    77    78   0.84100 -1.0 2.0
   76    55    57    58   0.84100 -1.0 2.0
   55    53   -54    56   3.62500 -1.0 2.0
   55    53    54    59   3.62500 -1.0 2.0
   77    75    76    62   3.62500 -1.0 2.0
   77    75    76    55   3.62500 -1.0 2.0
   63    56    62    69   3.62500 -1.0 2.0
   63    56    62    76   3.62500 -1.0 2.0
   59    54    56    62   3.62500 -1.0 2.0
   59    54    56    63   3.62500 -1.0 2.0
   59    67    39    33   0.60050  1.0 1.0
   59    67    39    33   0.05600 -1.0 2.0
   59    67    39    33   0.26150  1.0 3.0
   59    67    39    40   0.30150 -1.0 2.0
   60    59    67    45   0.15000  1.0 3.0
   60    59    67    68   0.15000  1.0 3.0
   60    59    67    39  -0.11250  1.0 3.0
   61    59    67    45   0.15000  1.0 3.0
   61    59    67    68   0.15000  1.0 3.0
   61    59    67    39  -0.11250  1.0 3.0
   67    45    49    50   0.30150 -1.0 2.0
   67    45   -49    53   0.05850 -1.0 2.0
   67    45   -49    53   0.17250  1.0 3.0
   67    45    51    52  -0.11600  1.0 1.0
   67    45    51    52  -0.09450 -1.0 2.0
   67    45    51    52   0.21250  1.0 3.0
   68    67    39    33   0.00000  1.0 1.0
   68    67    39    40   0.00000  1.0 1.0
   39    33   -38    41  -0.51250  1.0 1.0
   39    33   -38    41  -0.88800 -1.0 2.0
   39    33   -38    41   0.08850  1.0 3.0
   39    33    38    43   0.09700  1.0 1.0
   39    33    38    43   0.15600 -1.0 2.0
   39    33    38    43  -0.50800  1.0 3.0
   51    45    49    50   0.30150 -1.0 2.0
   51    45    49    53   0.65300  1.0 1.0
   51    45    49    53  -0.03850 -1.0 2.0
   51    45    49    53   0.33900  1.0 3.0
   51    45    67    59   0.86500  1.0 1.0
   51    45    67    59  -0.17500 -1.0 2.0
   51    45    67    59   0.20800  1.0 3.0
   51    45    67    68   0.23400  1.0 3.0
   51    45    67    39  -0.09450  1.0 1.0
   51    45    67    39  -1.12950 -1.0 2.0
   51    45    67    39   0.54000  1.0 3.0
   43    38    41    42   7.00000 -1.0 2.0
   43    38    41    45   7.00000 -1.0 2.0
   44    43    46    47   2.45000 -1.0 2.0
   44    43    46    48   2.45000 -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
   33    43    38    41   1.10000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   45    53    49    50  10.50000 -1.0 2.0
   54    55    53    49   4.00000 -1.0 2.0
   56    59    54    53   4.00000 -1.0 2.0
   62    63    56    54   4.00000 -1.0 2.0
   69    76    62    56   4.00000 -1.0 2.0
   71    70    69    62   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   76    77    75    73   4.00000 -1.0 2.0
   75    55    76    62   4.00000 -1.0 2.0
   76    57    55    53   4.00000 -1.0 2.0
   33    67    39    40  10.50000 -1.0 2.0
   38    46    43    44  10.50000 -1.0 2.0
   48    43    46    47   1.00000 -1.0 2.0
END
