* LIGAND DATABASE FILE (OPLS2005)
*
001      78    82    151    237     437
    1     0 S   NP   _N1_     1    28.86203    96.08242   -21.13060
    2     1 S   H    _HN1     2     1.02807    95.60818  -118.24904
    3     1 S   H    _H1_     3     1.02884    74.66710   -10.96485
    4     1 S   H    _H2_     4     1.02895    41.00671   131.12969
    5     1 S   CT   _CA1     5     1.50266   147.16425    94.22063
    6     5 S   HC   _HA1     6     1.09682   104.83956    86.44082
    7     5 S   CO3  _C1_     7     1.54156   111.03513   -30.88340
    8     7 S   O2Z  _O11     8     1.26122   116.09598   -92.53830
    9     7 S   O2Z  _O12     9     1.26434   114.10090    85.58174
   10     5 S   CT   _CB1    10     1.53083   107.14360  -157.50485
   11    10 S   HC   HB11    11     1.09841   109.53259   -49.46003
   12    10 S   HC   HB12    12     1.09771   110.63590    67.18645
   13    10 S   CT   _CG1    13     1.52945   112.12965  -170.09476
   14    13 S   HC   HG11    14     1.09480   110.63251   -64.17513
   15    13 S   HC   HG12    15     1.09665   109.77983    54.94082
   16    13 S   C    _CD1    16     1.51735   112.19022   175.64135
   17    16 S   O    _OE1    17     1.22736   123.24191     9.97597
   18    16 S   N    _N2_    18     1.38632   111.73599  -170.32571
   19    18 S   H    _HN2    19     1.01582   118.97549     2.34168
   20    18 S   CT1  _CA2    20     1.46325   123.41739   179.42393
   21    20 S   HC   _HA2    21     1.09724   109.30428     6.75261
   22    20 S   C    _C2_    22     1.53553   108.99402  -109.10615
   23    22 S   O    _O2_    23     1.23079   122.20248  -148.90300
   24    20 S   CT   _CB2    32     1.53318   111.26891   128.58744
   25    24 S   HC   HB21    33     1.09556   109.46993    58.64499
   26    24 S   HC   HB22    34     1.09485   110.71094   177.55487
   27    22 S   N    _N3_    24     1.38294   113.87332    38.45830
   28    27 S   H    _HN3    25     1.01559   119.60284    -3.12136
   29    24 S   S    _SG2    35     1.82613   111.26938   -62.22994
   30    27 S   CT   _CA3    26     1.45286   123.23876   177.26076
   31    30 S   HC   HA31    27     1.09549   107.46690   -65.60338
   32    30 S   HC   HA32    28     1.09556   108.04011    50.84816
   33    29 S   CT   _C20    36     1.87638    99.39564   165.15817
   34    33 S   HC   _H4_    37     1.09543   107.91818   -16.18554
   35    30 S   CO3  _C3_    29     1.52966   114.07315   172.85216
   36    35 S   O2Z  _O31    30     1.26380   116.07468    -1.55469
   37    35 S   O2Z  _O32    31     1.26430   114.40942   178.52276
   38    33 S   CM   _C19    38     1.51755   104.48254   100.52413
   39    38 S   CMA  _C18    39     1.35402   122.66580    92.18785
   40    39 S   OM   _O34    40     1.26102   131.58043  -175.34592
   41    38 S   OS   _O33    74     1.38842   115.38877   -82.47470
   42    39 S   CM   _C17    41     1.46469   117.60943     6.72777
   43    42 S   HC   _H16    42     1.08974   118.38926  -176.19883
   44    41 S   CT   _C21    75     1.42580   110.41765   -88.46047
   45    44 S   HC   _H17    76     1.09395   107.89130  -178.79034
   46    44 S   HC   _H18    77     1.09493   111.28245    62.84587
   47    44 S   HC   _H19    78     1.09535   111.21767   -60.40153
   48    42 S   CM   _C16    43     1.34699   122.38923    13.19835
   49    48 S   CT   _C15    44     1.50425   122.98114   162.92323
   50    49 S   HC   _H3_    45     1.09859   109.38105    10.48237
   51    33 S   CT   _C7_    57     1.57336   112.69752  -135.53539
   52    49 S   CT   _C14    46     1.54101   108.24670   126.61512
   53    52 S   HC   _H14    47     1.09903   108.72644   -69.83507
   54    52 S   HC   _H15    48     1.09615   110.03350   174.11857
   55    51 S   CT   _C6_    58     1.55759   112.46461   162.66634
   56    55 S   HC   _H10    59     1.09905   110.45592    54.72791
   57    55 S   HC   _H11    60     1.09763   110.96444   -62.58121
   58    49 S   NT   _N4_    64     1.48434   107.70914  -104.85764
   59    52 S   CA   _C13    49     1.50975   114.41761    49.83289
   60    55 S   CT   _C5_    61     1.55149   111.73368   175.81137
   61    60 S   HC   _H8_    62     1.09708   109.53028    75.13825
   62    60 S   HC   _H9_    63     1.09727   107.61752  -170.01436
   63    58 S   CT   _C4_    65     1.45793   113.49138   179.36542
   64    63 S   HC   _H5_    66     1.09546   110.89035   -50.44270
   65    63 S   HC   _H6_    67     1.09580   110.31234  -168.21299
   66    63 S   HC   _H7_    68     1.09507   112.48660    71.29551
   67    59 S   CA   _C12    50     1.40586   118.61459   160.88312
   68    67 S   HA   _H13    51     1.08523   121.18611     1.14569
   69    67 S   CA   _C11    52     1.37738   118.27858  -178.03457
   70    69 S   CA   _C10    53     1.37152   121.65824     0.05595
   71    70 S   CA   _C9_    54     1.37916   121.74359    -0.47642
   72    71 S   HA   _H12    55     1.08459   119.68820   178.79407
   73    70 S   OS   _O36    69     1.36095   112.41415   179.54889
   74    59 S   CA   _C8_    56     1.42275   120.87359   -19.37085
   75    73 S   CO   _C22    70     1.44286   100.91312     0.09065
   76    75 S   HC   _H20    71     1.09599   108.64731  -121.29460
   77    75 S   HC   _H21    72     1.09594   108.64032   120.60424
   78    69 S   OS   _O35    73     1.36001   125.93853   179.22066
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  17   7   2   1   1  13   8   4   6   9   3   3   2   1   1  15
  17   8  14  11   5   4  10   6   5   8   8   7   2   1   3   2
   1   1   8   4   9   8   5   2   5   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    74    51    55    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    48    49    59    71    74    51    55    56    57    60    41    44  
   38    39    48    74    51    55    41  
   36    37  
   37  
    0  
   39    40    42    43    48    74    51    55    41    44    45    46    47  
   40    42    43    48    49    51    41    44  
   42    43    48    41  
   44    45    46    47    42    51  
   43    48    49    50    52    74    51    55    58  
   48    49    51  
   45    46    47  
   46    47  
   47  
    0  
   49    50    52    53    54    59    71    74    51    55    56    57    60    58    63  
   50    52    53    54    59    67    74    51    55    60    61    62    58    63    64    65    66  
   52    53    54    59    51    60    58    63  
   55    56    57    60    61    62    58    52    59    67    70    71    72    74  
   53    54    59    67    68    69    71    74    60    58    63  
   54    59    67    74    58  
   59    67    74    58  
   56    57    60    61    62    58    63    59    71    74  
   57    60    61    62    58    74  
   60    61    62    58    74  
   63    64    65    66    59    60    61    62  
   67    68    69    70    71    72    74    78  
   61    62    63    64    65    66    74  
   62    63  
   63  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    74    73    75    78  
   69    70    74    78  
   70    71    72    74    73    75    76    77    78  
   71    72    74    73    75    76    77    78  
   72    74    73    75    78  
   74    73  
   75    76    77    78    74  
    0  
   76    77    78  
   77    78  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
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   317.000  1.510
   33    51   268.000  1.529
   38    39   465.000  1.376
   38    41   440.000  1.360
   39    40   745.000  1.250
   39    42   465.000  1.376
   42    43   340.000  1.080
   42    48   549.000  1.340
   48    49   317.000  1.510
   48    51   317.000  1.510
   49    50   340.000  1.090
   49    52   268.000  1.529
   49    58   382.000  1.448
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   317.000  1.510
   59    67   469.000  1.400
   59    74   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   469.000  1.400
   69    78   450.000  1.364
   70    71   469.000  1.400
   70    73   450.000  1.364
   71    72   367.000  1.080
   71    74   469.000  1.400
   74    51   317.000  1.510
   51    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    58   382.000  1.448
   58    63   382.000  1.448
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   73    75   320.000  1.380
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   320.000  1.380
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    51    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    85.00000  112.85300
   33    51    48    70.00000  112.02700
   33    51    74    70.00000  112.17500
   33    51    55    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    42    70.00000  123.01800
   38    41    44    90.00000  111.18400
   39    42    43    40.00000  120.50800
   39    42    48    70.00000  117.34000
   42    39    40    65.00000  137.10300
   42    48    49    70.00000  124.00000
   42    48    51    70.00000  124.00000
   48    42    43    35.00000  120.00000
   48    49    50    35.00000  109.50000
   48    49    52    70.00000  112.02700
   48    49    58    75.00000  110.70900
   48    51    74    70.00000  112.99600
   48    51    55    70.00000  112.02700
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    59    70.00000  112.17500
   49    58    60    51.80000  107.20000
   49    58    63    51.80000  107.20000
   52    49    50    37.50000  110.70000
   52    59    67    70.00000  120.00000
   52    59    74    70.00000  120.00000
   54    52    53    33.00000  107.80000
   59    52    53    35.00000  109.50000
   59    52    54    35.00000  109.50000
   59    67    68    35.00000  120.00000
   59    67    69    63.00000  120.00000
   59    74    71    63.00000  120.00000
   59    74    51    70.00000  120.00000
   67    69    70    63.00000  120.00000
   67    69    78    70.00000  120.00000
   69    67    68    35.00000  120.00000
   69    70    71    63.00000  120.00000
   69    70    73    70.00000  120.00000
   69    78    75   100.00000  112.36700
   70    71    72    35.00000  120.00000
   70    71    74    63.00000  120.00000
   70    73    75   100.00000  112.36700
   71    74    51    70.00000  120.00000
   74    59    67    63.00000  120.00000
   74    71    72    35.00000  120.00000
   74    51    55    70.00000  112.17500
   51    33    34    37.50000  110.70000
   51    33    38    70.00000  112.02700
   51    48    49    65.00000  117.92700
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    60    58.35000  112.70000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    58    56.20000  109.47000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   60    58    63    51.80000  107.20000
   62    60    61    33.00000  107.80000
   58    49    50    35.00000  109.50000
   58    49    52    56.20000  109.47000
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   73    70    71    70.00000  120.00000
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    92.60000  111.55000
   77    75    76    33.00000  109.50000
   78    69    70    70.00000  120.00000
   78    75    76    35.00000  109.50000
   78    75    77    35.00000  109.50000
   41    38    39    80.00000  120.01400
   41    44    45    35.00000  109.50000
   41    44    46    35.00000  109.50000
   41    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    51    48   0.56750  1.0 1.0
   29    33    51    48  -0.07550 -1.0 2.0
   29    33    51    48   0.20000  1.0 3.0
   29    33    51    74   0.56750  1.0 1.0
   29    33    51    74  -0.07550 -1.0 2.0
   29    33    51    74   0.20000  1.0 3.0
   29    33    51    55   0.44750  1.0 1.0
   29    33    51    55  -0.17800 -1.0 2.0
   29    33    51    55   0.20200  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    41    44   2.00000 -1.0 2.0
   33    51    55    56   0.15000  1.0 3.0
   33    51    55    57   0.15000  1.0 3.0
   33    51    55    60   0.56750  1.0 1.0
   33    51    55    60  -0.07550 -1.0 2.0
   33    51    55    60   0.20000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    51    48   0.15000  1.0 3.0
   34    33    51    74   0.43200  1.0 3.0
   34    33    51    55   0.15000  1.0 3.0
   38    33    51    48   0.31000  1.0 1.0
   38    33    51    48   0.14700 -1.0 2.0
   38    33    51    48   0.07550  1.0 3.0
   38    33    51    74   0.21200  1.0 1.0
   38    33    51    74   0.16900 -1.0 2.0
   38    33    51    74  -1.15100  1.0 3.0
   38    33    51    55   0.34400  1.0 1.0
   38    33    51    55   0.09450 -1.0 2.0
   38    33    51    55   0.11100  1.0 3.0
   38    39    42    43   7.00000 -1.0 2.0
   38    39   -42    48   7.00000 -1.0 2.0
   38    41    44    45   0.08050  1.0 3.0
   38    41    44    46   0.08050  1.0 3.0
   38    41    44    47   0.08050  1.0 3.0
   39    38    41    44  -2.26850  1.0 1.0
   39    38    41    44   3.39050 -1.0 2.0
   39    42    48    49   7.00000 -1.0 2.0
   39    42    48    51   7.00000 -1.0 2.0
   40    39    42    43   7.00000 -1.0 2.0
   40    39    42    48   7.00000 -1.0 2.0
   42    48    49    50   0.00000  1.0 1.0
   42    48    49    52   0.09850  1.0 1.0
   42    48    49    52   0.15250 -1.0 2.0
   42    48    49    52  -0.50650  1.0 3.0
   42    48    49    58   0.90200  1.0 1.0
   42    48    49    58   0.57900 -1.0 2.0
   42    48    49    58  -0.62100  1.0 3.0
   42    48   -51    33   0.09850  1.0 1.0
   42    48   -51    33   0.15250 -1.0 2.0
   42    48   -51    33  -0.50650  1.0 3.0
   42    48    51    74   1.44450  1.0 1.0
   42    48    51    74   0.06600 -1.0 2.0
   42    48    51    74   0.29250  1.0 3.0
   42    48    51    55   0.09850  1.0 1.0
   42    48    51    55   0.15250 -1.0 2.0
   42    48    51    55  -0.50650  1.0 3.0
   43    42    48    49   7.00000 -1.0 2.0
   43    42    48    51   7.00000 -1.0 2.0
   48    49    52    53   0.15000  1.0 3.0
   48    49    52    54   0.15000  1.0 3.0
   48    49    52    59   0.21200  1.0 1.0
   48    49    52    59   0.16900 -1.0 2.0
   48    49    52    59  -1.15100  1.0 3.0
   48    49    58    60  -0.60800  1.0 1.0
   48    49    58    60   1.10050 -1.0 2.0
   48    49    58    60   0.47000  1.0 3.0
   48    49    58    63  -0.60800  1.0 1.0
   48    49    58    63   1.10050 -1.0 2.0
   48    49    58    63   0.47000  1.0 3.0
   48    51    55    56   0.15000  1.0 3.0
   48    51    55    57   0.15000  1.0 3.0
   48    51   -55    60   0.34400  1.0 1.0
   48    51   -55    60   0.09450 -1.0 2.0
   48    51   -55    60   0.11100  1.0 3.0
   49    48    51    33   0.46850  1.0 1.0
   49    48    51    33   0.08550 -1.0 2.0
   49    48    51    33   0.09800  1.0 3.0
   49    48    51    74   0.09700  1.0 1.0
   49    48    51    74   0.15600 -1.0 2.0
   49    48    51    74  -0.50800  1.0 3.0
   49    48    51    55   0.46850  1.0 1.0
   49    48    51    55   0.08550 -1.0 2.0
   49    48    51    55   0.09800  1.0 3.0
   49    52    59    67   0.04150 -1.0 2.0
   49    52   -59    74   0.04150 -1.0 2.0
   49    58    63    64   0.28000  1.0 3.0
   49    58    63    65   0.28000  1.0 3.0
   49    58    63    66   0.28000  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    59   0.43200  1.0 3.0
   50    49    58    60   0.28000  1.0 3.0
   50    49    58    63   0.28000  1.0 3.0
   52    49    58    60   0.23450  1.0 1.0
   52    49    58    60   0.02050 -1.0 2.0
   52    49    58    60   0.25250  1.0 3.0
   52    49    58    63   0.58650  1.0 1.0
   52    49    58    63   0.12600 -1.0 2.0
   52    49    58    63   0.33350  1.0 3.0
   52    59    67    68   3.62500 -1.0 2.0
   52    59    67    69   3.62500 -1.0 2.0
   52    59    74    71   3.62500 -1.0 2.0
   52    59    74    51   3.62500 -1.0 2.0
   53    52    59    67   0.00000  1.0 1.0
   53    52    59    74   0.00000  1.0 1.0
   54    52    59    67   0.00000  1.0 1.0
   54    52    59    74   0.00000  1.0 1.0
   59    67    69    70   3.62500 -1.0 2.0
   59    67    69    78   3.62500 -1.0 2.0
   59    74    51    33   0.04150 -1.0 2.0
   59    74   -51    48   0.18050 -1.0 2.0
   59    74    51    55   0.04150 -1.0 2.0
   67    59    74    71   3.62500 -1.0 2.0
   67    59    74    51   3.62500 -1.0 2.0
   67    69   -70    71   3.62500 -1.0 2.0
   67    69    70    73   3.62500 -1.0 2.0
   67    69    78    75   1.63200 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    78   3.62500 -1.0 2.0
   69    70    71    72   3.62500 -1.0 2.0
   69    70    71    74   3.62500 -1.0 2.0
   69    70   -73    75   1.63200 -1.0 2.0
   70    69   -78    75   1.63200 -1.0 2.0
   70    71   -74    59   3.62500 -1.0 2.0
   70    71    74    51   3.62500 -1.0 2.0
   70    73    75    76   0.08050  1.0 3.0
   70    73    75    77   0.08050  1.0 3.0
   70    73   -75    78  -0.25600  1.0 1.0
   70    73   -75    78  -0.40050 -1.0 2.0
   70    73   -75    78   0.34700  1.0 3.0
   71    70    73    75   1.63200 -1.0 2.0
   71    74    51    33   0.04150 -1.0 2.0
   71    74    51    48   0.18050 -1.0 2.0
   71    74    51    55   0.04150 -1.0 2.0
   72    71    74    59   3.62500 -1.0 2.0
   72    71    74    51   3.62500 -1.0 2.0
   74    59    67    68   3.62500 -1.0 2.0
   74    59   -67    69   3.62500 -1.0 2.0
   74    51    55    56   0.43200  1.0 3.0
   74    51    55    57   0.43200  1.0 3.0
   74    51    55    60  -0.03700  1.0 1.0
   74    51    55    60   0.37200 -1.0 2.0
   74    51    55    60  -0.47300  1.0 3.0
   51    33   -38    39   0.09850  1.0 1.0
   51    33   -38    39   0.15250 -1.0 2.0
   51    33   -38    39  -0.50650  1.0 3.0
   51    33    38    41   0.09700  1.0 1.0
   51    33    38    41   0.15600 -1.0 2.0
   51    33    38    41  -0.50800  1.0 3.0
   51    48    49    50   0.34800  1.0 3.0
   51    48   -49    52   0.46850  1.0 1.0
   51    48   -49    52   0.08550 -1.0 2.0
   51    48   -49    52   0.09800  1.0 3.0
   51    48    49    58   0.52100  1.0 1.0
   51    48    49    58  -0.20350 -1.0 2.0
   51    48    49    58   0.29750  1.0 3.0
   51    55    60    61   0.15000  1.0 3.0
   51    55    60    62   0.15000  1.0 3.0
   51    55   -60    58   1.53400  1.0 1.0
   51    55   -60    58  -0.09950 -1.0 2.0
   51    55   -60    58   0.05700  1.0 3.0
   55    60   -58    49   0.23450  1.0 1.0
   55    60   -58    49   0.02050 -1.0 2.0
   55    60   -58    49   0.25250  1.0 3.0
   55    60    58    63   0.58650  1.0 1.0
   55    60    58    63   0.12600 -1.0 2.0
   55    60    58    63   0.33350  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    58   0.15000  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    62   0.15000  1.0 3.0
   57    55    60    58   0.15000  1.0 3.0
   60    58    63    64   0.28000  1.0 3.0
   60    58    63    65   0.28000  1.0 3.0
   60    58    63    66   0.28000  1.0 3.0
   61    60    58    49   0.28000  1.0 3.0
   61    60    58    63   0.28000  1.0 3.0
   62    60    58    49   0.28000  1.0 3.0
   62    60    58    63   0.28000  1.0 3.0
   58    49    52    53   0.15000  1.0 3.0
   58    49    52    54   0.15000  1.0 3.0
   58    49    52    59   0.83750  1.0 1.0
   58    49    52    59   0.32200 -1.0 2.0
   58    49    52    59   0.70600  1.0 3.0
   73    70    71    72   3.62500 -1.0 2.0
   73    70    71    74   3.62500 -1.0 2.0
   73    75   -78    69  -0.25600  1.0 1.0
   73    75   -78    69  -0.40050 -1.0 2.0
   73    75   -78    69   0.34700  1.0 3.0
   76    75    78    69   0.08050  1.0 3.0
   77    75    78    69   0.08050  1.0 3.0
   78    69    70    71   3.62500 -1.0 2.0
   78    69   -70    73   3.62500 -1.0 2.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    42   7.00000 -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    41    38    39   1.10000 -1.0 2.0
   42    40    39    38   1.10000 -1.0 2.0
   39    43    42    48   1.10000 -1.0 2.0
   49    51    48    42   1.10000 -1.0 2.0
   67    74    59    52   4.00000 -1.0 2.0
   69    68    67    59   1.10000 -1.0 2.0
   70    78    69    67   4.00000 -1.0 2.0
   71    73    70    69   4.00000 -1.0 2.0
   74    72    71    70   1.10000 -1.0 2.0
   71    51    74    59   4.00000 -1.0 2.0
END
