* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    141    228     417
    1     0 S   NP   _N1_     1    28.61860    95.01148   -21.72048
    2     1 S   H    _HN1     2     1.02775    92.88518   -73.48651
    3     1 S   H    _H1_     3     1.02956    84.24145    34.71557
    4     1 S   H    _H2_     4     1.02829    33.64194   167.80914
    5     1 S   CT   _CA1     5     1.50166   143.54779   151.54855
    6     5 S   HC   _HA1     6     1.09576   105.15273    68.75460
    7     5 S   CO3  _C1_     7     1.53791   112.39402   -51.31729
    8     7 S   O2Z  _O11     8     1.26373   114.97663   -41.08119
    9     7 S   O2Z  _O12     9     1.26233   114.92816   137.74532
   10     5 S   CT   _CB1    10     1.53065   107.38037  -173.34504
   11    10 S   HC   HB11    11     1.09827   109.27453   -49.58371
   12    10 S   HC   HB12    12     1.09820   110.45189    66.99279
   13    10 S   CT   _CG1    13     1.52989   112.70909  -170.64388
   14    13 S   HC   HG11    14     1.09586   110.45136   -65.90235
   15    13 S   HC   HG12    15     1.09662   109.96194    53.32531
   16    13 S   C    _CD1    16     1.51834   112.25343   173.56447
   17    16 S   O    _OE1    17     1.22737   123.28697     0.69267
   18    16 S   N    _N2_    18     1.38588   111.66558  -179.26325
   19    18 S   H    _HN2    19     1.01622   118.98638     0.40878
   20    18 S   CT1  _CA2    20     1.46283   123.49063   179.52522
   21    20 S   HC   _HA2    21     1.09739   109.32170   -10.40985
   22    20 S   C    _C2_    22     1.53414   108.43340  -125.85291
   23    22 S   O    _O2_    23     1.23026   122.43819  -149.13333
   24    20 S   CT   _CB2    32     1.53417   111.34193   111.69989
   25    24 S   HC   HB21    33     1.09372   109.34838    55.29984
   26    24 S   HC   HB22    34     1.09458   110.37997   173.75534
   27    22 S   N    _N3_    24     1.38395   113.45506    38.55068
   28    27 S   H    _HN3    25     1.01641   119.44766    -3.81239
   29    24 S   S    _SG2    35     1.83310   110.87357   -66.98988
   30    27 S   CT   _CA3    26     1.45273   123.12797   176.93331
   31    30 S   HC   HA31    27     1.09552   107.56606   -63.13752
   32    30 S   HC   HA32    28     1.09559   107.90323    53.26288
   33    29 S   CT   _C21    36     1.91606   101.45369   155.47572
   34    30 S   CO3  _C3_    29     1.52927   114.14029   175.25154
   35    34 S   O2Z  _O31    30     1.26365   116.06604     0.43476
   36    34 S   O2Z  _O32    31     1.26430   114.40837  -179.53438
   37    33 S   CA   _C12    37     1.53692   107.20595  -176.48782
   38    33 S   CO4  _C17    73     1.53108   103.85603    60.34138
   39    38 S   O    _O22    74     1.23043   124.37486    32.11053
   40    37 S   CA   _C11    38     1.41947   117.25287    76.23781
   41    40 S   CA   _C7_    39     1.40817   120.50370  -178.87465
   42    41 S   HA   _H32    40     1.08874   119.35788   178.71641
   43    40 S   CT   _C19    52     1.51763   121.69089    -0.97538
   44    43 S   HC   _H34    53     1.09769   107.97518   147.89703
   45    41 S   CA   _C13    41     1.39525   121.20184    -1.09593
   46    43 S   CT   _C20    54     1.55040   116.21888    25.29159
   47    46 S   HC   _H35    55     1.09549   110.23240  -125.76425
   48    43 S   OH   _O24    77     1.43287   108.37308   -98.13970
   49    48 S   HO   _H42    78     0.97361   107.61415    57.81751
   50    45 S   CA   _C8_    42     1.39519   118.60278     1.25772
   51    50 S   HA   _H33    43     1.08790   119.19166   179.02743
   52    45 S   CT   _C23    47     1.50028   120.81045   179.53945
   53    52 S   HC   _H39    48     1.09530   111.13777    21.81056
   54    52 S   HC   _H40    49     1.09545   110.52856   141.58819
   55    33 S   CM   _C18    56     1.53685   109.89210   -59.22693
   56    46 S   OH   _O25    75     1.43482   105.26669   121.40857
   57    56 S   HO   _H43    76     0.97427   107.42748  -166.46601
   58    37 S   CA   _C15    44     1.40586   125.40969  -102.86425
   59    52 S   OH   _O26    50     1.41936   109.12346   -98.34563
   60    59 S   HO   _H44    51     0.97217   107.04016   179.39574
   61    55 S   CMA  _C16    57     1.36967   124.82344   128.12206
   62    61 S   OM   _O21    58     1.26805   125.73925  -168.54977
   63    58 S   OH   _O23    45     1.36737   120.85118    -0.52934
   64    63 S   HO   _H41    46     0.97181   109.53147   178.16933
   65    61 S   CA   _C10    59     1.52144   115.28795    13.08262
   66    65 S   CA   _C9_    60     1.39926   121.22255   -23.49534
   67    66 S   CA   _C5_    61     1.40730   122.53354  -176.20677
   68    67 S   HA   _H30    62     1.08738   120.97128   179.66780
   69    67 S   CA   _C4_    63     1.38765   120.33316    -1.00249
   70    69 S   HA   _H29    64     1.08548   120.38823   179.80119
   71    69 S   CA   _C6_    65     1.38567   119.19615    -1.02067
   72    71 S   HA   _H31    66     1.08684   119.63128  -179.27964
   73    65 S   CA   _C14    67     1.42123   123.42820   156.81453
   74    73 S   OS   _O27    68     1.37753   122.01197    -2.66903
   75    74 S   CT   _C22    69     1.42879   110.12396   -96.01054
   76    75 S   HC   _H36    70     1.09408   107.79372   173.03463
   77    75 S   HC   _H37    71     1.09585   111.68089    54.50242
   78    75 S   HC   _H38    72     1.09524   110.91367   -68.91984
  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
  18   2   1   1  18  12   4  15  13   4  11   6   9   9   5   3
   1   8   3   5   3   2   8   2   1   2   1   1   7   3   1   1
   9   7   6   3   5   3   4   2   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    58    46    55    61    66    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    50    58    63    43    46    47    55    61    62    65    66    67    38    39    56  
   35    36  
   36  
    0  
   40    41    42    45    50    51    58    63    64    43    44    46    55    61    66    38    39    48  
   39    40    46    55    58    61    65    66    67    68    69    73  
   55    65    66    67  
   41    42    45    50    58    63    52    43    44    46    47    55    56    48    49  
   42    45    50    51    58    52    53    54    59    43    44    46    48  
   45    50    52    43  
   44    46    47    55    61    56    57    48    49    45    58  
   46    47    55    56    48    49  
   50    51    58    63    52    53    54    59    60  
   47    55    61    62    65    56    57    48    49  
   55    61    56    57    48  
   49    55    56  
    0  
   51    58    63    64    52    53    54    59  
   58    63    52  
   53    54    59    60    58  
   54    59    60  
   59    60  
   61    62    65    66    73    56    57    58  
   57    61  
    0  
   63    64  
   60  
    0  
   62    65    66    67    71    73    74  
   65    66    73  
   64  
    0  
   66    67    68    69    71    72    73    74    75  
   67    68    69    70    71    73    74  
   68    69    70    71    72    73  
   69    70    71  
   70    71    72    73    74  
   71    72    73  
   72    73    74    75  
   73    74  
   74    75    76    77    78  
   75    76    77    78  
   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  -0.335000   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   0.282500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.077900   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660   0.197200   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.048000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.048000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.1200   0.1700  -0.633300   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   62   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    55   317.000  1.510
   33    38   317.000  1.522
   37    40   469.000  1.400
   37    58   469.000  1.400
   40    41   469.000  1.400
   40    43   317.000  1.510
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    50   469.000  1.400
   45    52   317.000  1.510
   50    51   367.000  1.080
   50    58   469.000  1.400
   58    63   450.000  1.364
   63    64   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   320.000  1.410
   59    60   553.000  0.945
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    48   320.000  1.410
   46    47   340.000  1.090
   46    55   317.000  1.510
   46    56   320.000  1.410
   55    61   465.000  1.376
   61    62   745.000  1.250
   61    65   320.000  1.460
   65    66   469.000  1.400
   65    73   469.000  1.400
   66    67   469.000  1.400
   66    38   310.000  1.470
   67    68   367.000  1.080
   67    69   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   450.000  1.364
   74    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   38    39   570.000  1.229
   56    57   553.000  0.945
   48    49   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    80.00000  109.48900
   29    33    55    75.00000  112.20000
   29    33    38    75.00000  110.18000
   33    37    40    70.00000  120.00000
   33    37    58    70.00000  120.00000
   33    55    46    65.00000  117.92700
   33    55    61    70.00000  124.00000
   33    38    66    65.00000  115.47100
   33    38    39    80.00000  120.40000
   37    40    41    63.00000  120.00000
   37    40    43    70.00000  120.00000
   37    58    50    63.00000  120.00000
   37    58    63    70.00000  120.00000
   40    41    42    35.00000  120.00000
   40    41    45    63.00000  120.00000
   40    43    44    35.00000  109.50000
   40    43    46    70.00000  112.17500
   40    43    48    90.00000  112.51600
   41    45    50    63.00000  120.00000
   41    45    52    70.00000  120.00000
   45    41    42    35.00000  120.00000
   45    50    51    35.00000  120.00000
   45    50    58    63.00000  120.00000
   45    52    53    35.00000  109.50000
   45    52    54    35.00000  109.50000
   45    52    59    90.00000  112.51600
   50    58    63    70.00000  120.00000
   58    37    40    63.00000  120.00000
   58    50    51    35.00000  120.00000
   58    63    64    35.00000  113.00000
   52    45    50    70.00000  120.00000
   52    59    60    55.00000  108.50000
   54    52    53    33.00000  107.80000
   59    52    53    35.00000  109.50000
   59    52    54    35.00000  109.50000
   43    40    41    70.00000  120.00000
   43    46    47    37.50000  110.70000
   43    46    55    70.00000  112.02700
   43    46    56    50.00000  109.50000
   43    48    49    55.00000  108.50000
   46    43    44    37.50000  110.70000
   46    55    61    70.00000  124.00000
   46    56    57    55.00000  108.50000
   55    33    37    70.00000  112.99600
   55    46    47    35.00000  109.50000
   55    61    62    65.00000  137.10300
   55    61    65    60.00000  123.20500
   61    65    66    60.00000  120.93500
   61    65    73    60.00000  120.93500
   65    61    62    85.00000  114.86500
   65    66    67    63.00000  120.00000
   65    66    38    60.00000  119.52600
   65    73    71    63.00000  120.00000
   65    73    74    70.00000  120.00000
   66    67    68    35.00000  120.00000
   66    67    69    63.00000  120.00000
   66    38    39    75.00000  123.78400
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  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    70.00000  120.00000
   73    65    66    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    74    75    75.00000  111.00000
   74    75    76    35.00000  109.50000
   74    75    77    35.00000  109.50000
   74    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   38    33    37    70.00000  110.93000
   38    33    55    70.00000  109.06800
   38    66    67    60.00000  119.52600
   56    46    47    35.00000  109.50000
   56    46    55    90.00000  110.39200
   48    43    44    35.00000  109.50000
   48    43    46    50.00000  109.50000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    55  -0.62250  1.0 1.0
   24    29    33    55  -0.38450 -1.0 2.0
   24    29    33    55   0.81900  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    58  -0.16000  1.0 1.0
   29    33    37    58  -0.03200 -1.0 2.0
   29    33    37    58   0.04500  1.0 3.0
   29    33    55    46   0.30250  1.0 1.0
   29    33    55    46  -0.14950 -1.0 2.0
   29    33    55    46   0.36900  1.0 3.0
   29    33    55    61   0.42700  1.0 1.0
   29    33    55    61  -0.70350 -1.0 2.0
   29    33    55    61  -0.43150  1.0 3.0
   29    33    38    66   0.65300  1.0 1.0
   29    33    38    66  -0.03850 -1.0 2.0
   29    33    38    66   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   33    37    40    41   3.62500 -1.0 2.0
   33    37    40    43   3.62500 -1.0 2.0
   33    37    58    50   3.62500 -1.0 2.0
   33    37    58    63   3.62500 -1.0 2.0
   33    55    61    62   7.00000 -1.0 2.0
   33    55    61    65   7.00000 -1.0 2.0
   37    33    55    46   0.09700  1.0 1.0
   37    33    55    46   0.15600 -1.0 2.0
   37    33    55    46  -0.50800  1.0 3.0
   37    33    55    61   1.44450  1.0 1.0
   37    33    55    61   0.06600 -1.0 2.0
   37    33    55    61   0.29250  1.0 3.0
   37    33    38    66   0.65300  1.0 1.0
   37    33    38    66  -0.03850 -1.0 2.0
   37    33    38    66   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    40    41    42   3.62500 -1.0 2.0
   37    40    41    45   3.62500 -1.0 2.0
   37    40    43    44   0.00000  1.0 1.0
   37    40   -43    46   0.04150 -1.0 2.0
   37    40    43    48   0.14300 -1.0 2.0
   37    40    43    48   0.00300  1.0 3.0
   37    58    63    64   0.84100 -1.0 2.0
   40    37    58    50   3.62500 -1.0 2.0
   40    37    58    63   3.62500 -1.0 2.0
   40    41   -45    50   3.62500 -1.0 2.0
   40    41    45    52   3.62500 -1.0 2.0
   40    43    46    47   0.43200  1.0 3.0
   40    43    46    55   0.21200  1.0 1.0
   40    43    46    55   0.16900 -1.0 2.0
   40    43    46    55  -1.15100  1.0 3.0
   40    43    46    56   1.13150  1.0 1.0
   40    43    46    56  -1.01400 -1.0 2.0
   40    43    48    49   0.31900  1.0 1.0
   40    43    48    49  -0.11800 -1.0 2.0
   40    43    48    49   0.38750  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    46   0.04150 -1.0 2.0
   41    40    43    48   0.14300 -1.0 2.0
   41    40    43    48   0.00300  1.0 3.0
   41    45    50    51   3.62500 -1.0 2.0
   41    45    50    58   3.62500 -1.0 2.0
   41    45    52    53   0.00000  1.0 1.0
   41    45    52    54   0.00000  1.0 1.0
   41    45    52    59   0.14300 -1.0 2.0
   41    45    52    59   0.00300  1.0 3.0
   42    41    45    50   3.62500 -1.0 2.0
   42    41    45    52   3.62500 -1.0 2.0
   45    50   -58    37   3.62500 -1.0 2.0
   45    50    58    63   3.62500 -1.0 2.0
   45    52    59    60   0.31900  1.0 1.0
   45    52    59    60  -0.11800 -1.0 2.0
   45    52    59    60   0.38750  1.0 3.0
   50    45    52    53   0.00000  1.0 1.0
   50    45    52    54   0.00000  1.0 1.0
   50    45    52    59   0.14300 -1.0 2.0
   50    45    52    59   0.00300  1.0 3.0
   50    58    63    64   0.84100 -1.0 2.0
   51    50    58    37   3.62500 -1.0 2.0
   51    50    58    63   3.62500 -1.0 2.0
   58    37   -40    41   3.62500 -1.0 2.0
   58    37    40    43   3.62500 -1.0 2.0
   52    45    50    51   3.62500 -1.0 2.0
   52    45    50    58   3.62500 -1.0 2.0
   53    52    59    60   0.19450  1.0 3.0
   54    52    59    60   0.19450  1.0 3.0
   43    40    41    42   3.62500 -1.0 2.0
   43    40    41    45   3.62500 -1.0 2.0
   43    46   -55    33   0.46850  1.0 1.0
   43    46   -55    33   0.08550 -1.0 2.0
   43    46   -55    33   0.09800  1.0 3.0
   43    46    55    61   0.09850  1.0 1.0
   43    46    55    61   0.15250 -1.0 2.0
   43    46    55    61  -0.50650  1.0 3.0
   43    46    56    57  -0.11600  1.0 1.0
   43    46    56    57  -0.09450 -1.0 2.0
   43    46    56    57   0.21250  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    55   0.15000  1.0 3.0
   44    43    46    56   0.23400  1.0 3.0
   44    43    48    49   0.19450  1.0 3.0
   46    43    48    49  -0.11600  1.0 1.0
   46    43    48    49  -0.09450 -1.0 2.0
   46    43    48    49   0.21250  1.0 3.0
   46    55    61    62   7.00000 -1.0 2.0
   46    55    61    65   7.00000 -1.0 2.0
   47    46    55    33   0.34800  1.0 3.0
   47    46    55    61   0.00000  1.0 1.0
   47    46    56    57   0.19450  1.0 3.0
   55    33   -37    40   0.18050 -1.0 2.0
   55    33    37    58   0.18050 -1.0 2.0
   55    33    38    66   0.65300  1.0 1.0
   55    33    38    66  -0.03850 -1.0 2.0
   55    33    38    66   0.33900  1.0 3.0
   55    33    38    39   0.30150 -1.0 2.0
   55    46    56    57  -0.07800  1.0 1.0
   55    46    56    57  -0.21500 -1.0 2.0
   55    46    56    57  -0.03150  1.0 3.0
   55    61   -65    66   0.15800  1.0 1.0
   55    61   -65    66   1.85350 -1.0 2.0
   55    61   -65    66  -0.48700  1.0 3.0
   55    61    65    73   0.15800  1.0 1.0
   55    61    65    73   1.85350 -1.0 2.0
   55    61    65    73  -0.48700  1.0 3.0
   61    65    66    67   3.62500 -1.0 2.0
   61    65    66    38   3.62500 -1.0 2.0
   61    65    73    71   3.62500 -1.0 2.0
   61    65    73    74   3.62500 -1.0 2.0
   62    61    65    66  -0.01750  1.0 1.0
   62    61    65    66  -0.32000 -1.0 2.0
   62    61    65    66   0.00600  1.0 3.0
   62    61    65    73  -0.01750  1.0 1.0
   62    61    65    73  -0.32000 -1.0 2.0
   62    61    65    73   0.00600  1.0 3.0
   65    66    67    68   3.62500 -1.0 2.0
   65    66    67    69   3.62500 -1.0 2.0
   65    66   -38    33   2.26350  1.0 1.0
   65    66   -38    33   0.76750 -1.0 2.0
   65    66   -38    33   0.22500  1.0 3.0
   65    66    38    39   1.05000 -1.0 2.0
   65    73    74    75   1.63200 -1.0 2.0
   66    65    73    71   3.62500 -1.0 2.0
   66    65    73    74   3.62500 -1.0 2.0
   66    67    69    70   3.62500 -1.0 2.0
   66    67   -69    71   3.62500 -1.0 2.0
   67    66    38    33   2.26350  1.0 1.0
   67    66    38    33   0.76750 -1.0 2.0
   67    66    38    33   0.22500  1.0 3.0
   67    66    38    39   1.05000 -1.0 2.0
   67    69    71    72   3.62500 -1.0 2.0
   67    69    71    73   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71   -73    65   3.62500 -1.0 2.0
   69    71    73    74   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    74    75   1.63200 -1.0 2.0
   72    71    73    65   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   73    65   -66    67   3.62500 -1.0 2.0
   73    65    66    38   3.62500 -1.0 2.0
   73    74    75    76   0.08050  1.0 3.0
   73    74    75    77   0.08050  1.0 3.0
   73    74    75    78   0.08050  1.0 3.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    58   0.04300 -1.0 2.0
   38    33    55    46   0.17250  1.0 1.0
   38    33    55    46  -0.04100 -1.0 2.0
   38    33    55    46  -0.33850  1.0 3.0
   38    33   -55    61  -0.51250  1.0 1.0
   38    33   -55    61  -0.88800 -1.0 2.0
   38    33   -55    61   0.08850  1.0 3.0
   38    66    67    68   3.62500 -1.0 2.0
   38    66    67    69   3.62500 -1.0 2.0
   56    46    55    33   0.18000  1.0 1.0
   56    46    55    33   0.16450 -1.0 2.0
   56    46    55    33   0.04450  1.0 3.0
   56    46    55    61   0.67800  1.0 1.0
   56    46    55    61   0.47050 -1.0 2.0
   56    46    55    61  -0.62500  1.0 3.0
   48    43    46    47   0.23400  1.0 3.0
   48    43    46    55   1.05650  1.0 1.0
   48    43    46    55   0.15600 -1.0 2.0
   48    43    46    55   0.53150  1.0 3.0
   48    43    46    56   3.75450  1.0 1.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   40    58    37    33   4.00000 -1.0 2.0
   41    43    40    37   4.00000 -1.0 2.0
   45    42    41    40   1.10000 -1.0 2.0
   50    52    45    41   4.00000 -1.0 2.0
   58    51    50    45   1.10000 -1.0 2.0
   50    63    58    37   4.00000 -1.0 2.0
   33    46    55    61   1.10000 -1.0 2.0
   65    62    61    55   1.10000 -1.0 2.0
   66    73    65    61   4.00000 -1.0 2.0
   67    38    66    65   4.00000 -1.0 2.0
   69    68    67    66   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   71    74    73    65   4.00000 -1.0 2.0
   33    66    38    39  10.50000 -1.0 2.0
END
