* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    154    243     440
    1     0 S   NP   _N1_     1    28.69182    96.02302   -20.85361
    2     1 S   H    _HN1     2     1.02784    86.88301   -92.83200
    3     1 S   H    _H1_     3     1.02955    83.70143    15.95564
    4     1 S   H    _H2_     4     1.02838    38.94303   143.39344
    5     1 S   CT   _CA1     5     1.50117   149.56186   136.35579
    6     5 S   HC   _HA1     6     1.09576   105.25042    64.10487
    7     5 S   CO3  _C1_     7     1.53822   112.15541   -56.09865
    8     7 S   O2Z  _O11     8     1.26362   115.03727   -49.26613
    9     7 S   O2Z  _O12     9     1.26227   114.91147   129.71483
   10     5 S   CT   _CB1    10     1.53079   107.39199  -178.07949
   11    10 S   HC   HB11    11     1.09822   109.43553   -50.55980
   12    10 S   HC   HB12    12     1.09818   110.44000    66.03474
   13    10 S   CT   _CG1    13     1.52970   112.56220  -171.62726
   14    13 S   HC   HG11    14     1.09458   110.35565   -60.69924
   15    13 S   HC   HG12    15     1.09641   110.06238    58.30620
   16    13 S   C    _CD1    16     1.51808   112.20051   178.47826
   17    16 S   O    _OE1    17     1.22748   123.16645    -8.35644
   18    16 S   N    _N2_    18     1.38551   111.80032   172.60893
   19    18 S   H    _HN2    19     1.01792   119.02937    -0.76208
   20    18 S   CT1  _CA2    20     1.46202   123.53680   179.04100
   21    20 S   HC   _HA2    21     1.09735   109.31907     2.28113
   22    20 S   C    _C2_    22     1.53588   109.10089  -113.45261
   23    22 S   O    _O2_    23     1.23079   122.00602  -148.75866
   24    20 S   CT   _CB2    32     1.53554   111.39043   124.07407
   25    24 S   HC   HB21    33     1.09445   109.00072    57.03066
   26    24 S   HC   HB22    34     1.09355   109.92464   175.65152
   27    22 S   N    _N3_    24     1.38439   113.81133    38.88931
   28    27 S   H    _HN3    25     1.01467   118.98292    -1.02832
   29    24 S   S    _SG2    35     1.83340   111.06367   -63.94123
   30    27 S   CT   _CA3    26     1.45455   123.52165   175.19087
   31    30 S   HC   HA31    27     1.09519   109.34770    22.81382
   32    30 S   HC   HA32    28     1.09502   107.10197   139.79516
   33    29 S   CT   _C13    36     1.93019   102.43827  -179.93147
   34    30 S   CO3  _C3_    29     1.52907   113.00586  -100.75886
   35    34 S   O2Z  _O31    30     1.26413   115.34631   -46.90542
   36    34 S   O2Z  _O32    31     1.26353   115.03788   134.02446
   37    33 S   CM   _C4_    37     1.50811   107.60753   -42.37039
   38    37 S   HC   _H25    38     1.08832   117.78342   106.68663
   39    33 S   C3T  _C11    52     1.51413   100.65271    78.96579
   40    39 S   HC   _H31    53     1.08201   114.85993   -57.47720
   41    37 S   CMA  _C5_    39     1.35511   122.06625   -80.12686
   42    41 S   OM   _O18    40     1.26446   126.80547  -171.03200
   43    70 S   O3T  _O21    54     1.44082   113.98320   -79.93271
   44    41 S   C3T  _C14    41     1.52744   117.39481     7.23180
   45    44 S   CT   _C8_    42     1.53994   116.86775   -33.77970
   46    45 S   HC   _H27    43     1.09474   109.20103   130.02783
   47    45 S   HC   _H28    44     1.09784   108.56171  -115.15834
   48    44 S   C3T  _C15    70     1.56738   118.28458   115.54812
   49    33 S   CT   _C16    45     1.59192   111.34283  -160.72211
   50    44 S   O3T  _O22    71     1.44545   122.05484  -178.14396
   51    48 S   CO4  _C6_    72     1.48795   119.06671    10.57540
   52    51 S   O    _O19    73     1.22578   121.33633  -100.30876
   53    51 S   HC   _H26    74     1.10278   116.80723    81.21819
   54    48 S   CT   _C19    75     1.50587   121.51518  -151.23928
   55    54 S   HC   _H39    76     1.09493   112.51520   -43.36998
   56    54 S   HC   _H40    77     1.09512   110.27966  -162.72436
   57    54 S   HC   _H41    78     1.09392   110.25939    77.99742
   58    49 S   CT   _C9_    46     1.58068   109.44238   -63.24664
   59    58 S   HC   _H29    47     1.09762   106.99784    57.87439
   60    49 S   CT   _C20    66     1.56478   113.01333   174.08689
   61    60 S   HC   _H42    67     1.08936   113.82522    61.92030
   62    60 S   HC   _H43    68     1.09359   112.80070   -59.43152
   63    60 S   HC   _H44    69     1.09538   111.07443  -177.73808
   64    58 S   CT   _C12    48     1.55383   113.75515   -58.59212
   65    64 S   HC   _H32    49     1.09864   106.60726   159.96299
   66    58 S   CT   _C18    62     1.53880   114.19972   173.48747
   67    66 S   HC   _H36    63     1.09338   112.65429    63.02045
   68    66 S   HC   _H37    64     1.09395   111.46345   -58.65704
   69    66 S   HC   _H38    65     1.09600   110.12309  -177.15023
   70    64 S   C3T  _C10    50     1.50223   113.78931    40.47603
   71    70 S   HC   _H30    51     1.08153   113.55604   142.57612
   72    64 S   OS   _O23    55     1.44599   109.98934   -83.15466
   73    72 S   CO4  _C7_    56     1.36209   117.44098  -156.19084
   74    73 S   O    _O20    57     1.22314   126.44430     0.30901
   75    73 S   CT   _C17    58     1.49825   109.43459  -179.63684
   76    75 S   HC   _H33    59     1.09292   109.82353   -60.86757
   77    75 S   HC   _H34    60     1.09376   109.37189  -179.92598
   78    75 S   HC   _H35    61     1.09293   109.80845    61.01582
  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  12   5   4   3
  22   2   1   1  14   5  12   5  10   4   7  15  15   6   5   9
  15   7   6   2   1   3   2   1   1  15   9   5   2   1   1  11
   5   5   2   1   1   3   1   6   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    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    45    49    58    70    39    40    43    60  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    44    45    46    47    49    58    59    64    70    71    39    40    43    66    60    61    62    63  
   35    36  
   36  
    0  
   38    41    42    44    45    49    58    70    39    40    43    60    48    50  
   41    42    44    49    39  
   40    43    72    60    41    45    49    58    64    65    70    71  
   43    49    64    70    71  
   42    44    45    46    47    49    48    50    51    54  
   44    45    48    50  
   72    49    58    64    65    70    71  
   45    46    47    49    58    60    48    50    51    52    53    54    55    56    57  
   46    47    49    58    59    64    66    60    61    62    63    48    50    51    54  
   47    49    58    60    48    50  
   49    58    60    48    50  
   50    51    52    53    54    55    56    57    49  
   58    59    64    65    70    72    66    67    68    69    60    61    62    63    50  
   51    52    53    54    55    56    57  
   52    53    54    55    56    57  
   53    54  
   54  
   55    56    57  
   56    57  
   57  
    0  
   59    64    65    70    71    72    73    66    67    68    69    60    61    62    63  
   64    65    70    72    66    67    68    69    60  
   61    62    63    64    66  
   62    63  
   63  
    0  
   65    70    71    72    73    74    75    66    67    68    69  
   70    71    72    73    66  
   67    68    69    70    72  
   68    69  
   69  
    0  
   71    72    73  
   72  
   73    74    75    76    77    78  
   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   0.167500   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   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   51   3.7500   0.1050   0.367200   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   53   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   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    49   268.000  1.529
   33    39   275.000  1.510
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    44   305.000  1.480
   44    45   275.000  1.510
   44    48   260.000  1.509
   44    50   335.000  1.432
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    49   268.000  1.529
   49    58   268.000  1.529
   49    60   268.000  1.529
   58    59   340.000  1.090
   58    64   268.000  1.529
   58    66   268.000  1.529
   64    65   340.000  1.090
   64    70   275.000  1.510
   64    72   320.000  1.410
   70    71   340.000  1.088
   70    39   260.000  1.509
   70    43   335.000  1.432
   39    40   340.000  1.088
   39    43   335.000  1.432
   72    73   214.000  1.327
   73    74   570.000  1.229
   73    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   48    50   335.000  1.432
   48    51   290.000  1.496
   48    54   275.000  1.510
   51    52   570.000  1.229
   51    53   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    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    75.00000  112.20000
   29    33    49    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    49    45    58.35000  112.70000
   33    49    58    58.35000  112.70000
   33    49    60    58.35000  112.70000
   33    39    70    60.00000  120.94000
   33    39    40    40.00000  115.04500
   33    39    43    80.00000  116.47100
   37    41    42    65.00000  137.10300
   37    41    44    65.00000  122.18000
   41    37    38    40.00000  120.50800
   41    44    45    65.00000  117.55000
   41    44    48    60.00000  120.58800
   41    44    50    85.00000  114.23300
   44    41    42    85.00000  112.85300
   44    45    46    45.00000  109.38400
   44    45    47    45.00000  109.38400
   44    45    49    70.00000  112.37300
   44    48    50    15.00000   60.43100
   44    48    51    65.00000  117.18000
   44    48    54    60.00000  120.94000
   44    50    48    15.00000   59.14900
   45    49    58    58.35000  112.70000
   45    49    60    58.35000  112.70000
   47    45    46    33.00000  107.80000
   49    33    37    70.00000  112.02700
   49    45    46    37.50000  110.70000
   49    45    47    37.50000  110.70000
   49    58    59    37.50000  110.70000
   49    58    64    58.35000  112.70000
   49    58    66    58.35000  112.70000
   49    60    61    37.50000  110.70000
   49    60    62    37.50000  110.70000
   49    60    63    37.50000  110.70000
   58    64    65    37.50000  110.70000
   58    64    70    70.00000  112.37300
   58    64    72    50.00000  109.50000
   58    66    67    37.50000  110.70000
   58    66    68    37.50000  110.70000
   58    66    69    37.50000  110.70000
   64    58    59    37.50000  110.70000
   64    70    71    40.00000  115.04500
   64    70    39    60.00000  120.94000
   64    70    43    80.00000  116.47100
   64    72    73    83.00000  116.90000
   70    64    65    45.00000  109.38400
   70    39    40    37.50000  117.20000
   70    39    43    15.00000   60.43100
   70    43    39    15.00000   59.14900
   39    33    37    70.00000  112.02700
   39    33    49    70.00000  112.37300
   39    70    71    37.50000  117.20000
   43    70    71    50.00000  114.27700
   43    70    39    15.00000   60.43100
   43    39    40    50.00000  114.27700
   72    64    65    35.00000  109.50000
   72    64    70    50.00000  109.50000
   72    73    74    83.00000  123.40000
   72    73    75    81.00000  111.40000
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    35.00000  109.50000
   75    73    74    80.00000  120.40000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   66    58    59    37.50000  110.70000
   66    58    64    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   60    49    58    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   48    44    45    60.00000  120.94000
   48    51    52    75.00000  121.36600
   48    51    53    40.00000  115.82000
   48    54    55    45.00000  109.38400
   48    54    56    45.00000  109.38400
   48    54    57    45.00000  109.38400
   50    44    45    80.00000  116.47100
   50    44    48    15.00000   60.43100
   51    48    50    80.00000  114.91000
   53    51    52    35.00000  123.00000
   54    48    50    80.00000  116.47100
   54    48    51    63.00000  111.10000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  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    37    38   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    49    45   0.44750  1.0 1.0
   29    33    49    45  -0.17800 -1.0 2.0
   29    33    49    45   0.20200  1.0 3.0
   29    33    49    58   0.44750  1.0 1.0
   29    33    49    58  -0.17800 -1.0 2.0
   29    33    49    58   0.20200  1.0 3.0
   29    33    49    60   0.44750  1.0 1.0
   29    33    49    60  -0.17800 -1.0 2.0
   29    33    49    60   0.20200  1.0 3.0
   29    33    39    70   0.44750  1.0 1.0
   29    33    39    70  -0.17800 -1.0 2.0
   29    33    39    70   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    44   7.00000 -1.0 2.0
   33    49    58    59   0.15000  1.0 3.0
   33    49    58    64   0.56750  1.0 1.0
   33    49    58    64  -0.07550 -1.0 2.0
   33    49    58    64   0.20000  1.0 3.0
   33    49    58    66   0.56750  1.0 1.0
   33    49    58    66  -0.07550 -1.0 2.0
   33    49    58    66   0.20000  1.0 3.0
   33    49    60    61   0.15000  1.0 3.0
   33    49    60    62   0.15000  1.0 3.0
   33    49    60    63   0.15000  1.0 3.0
   33    39   -43    70   0.06250  1.0 1.0
   33    39   -43    70  -0.01100 -1.0 2.0
   33    39   -43    70   0.28050  1.0 3.0
   37    33    49    45   0.34400  1.0 1.0
   37    33    49    45   0.09450 -1.0 2.0
   37    33    49    45   0.11100  1.0 3.0
   37    33    49    58   0.34400  1.0 1.0
   37    33    49    58   0.09450 -1.0 2.0
   37    33    49    58   0.11100  1.0 3.0
   37    33    49    60   0.34400  1.0 1.0
   37    33    49    60   0.09450 -1.0 2.0
   37    33    49    60   0.11100  1.0 3.0
   37    33    39    70   0.34400  1.0 1.0
   37    33    39    70   0.09450 -1.0 2.0
   37    33    39    70   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    43   0.61850  1.0 1.0
   37    33    39    43  -0.22750 -1.0 2.0
   37    33    39    43   0.15300  1.0 3.0
   37    41   -44    45   0.09850  1.0 1.0
   37    41   -44    45   0.15250 -1.0 2.0
   37    41   -44    45  -0.50650  1.0 3.0
   37    41    44    48   0.09850  1.0 1.0
   37    41    44    48   0.15250 -1.0 2.0
   37    41    44    48  -0.50650  1.0 3.0
   37    41    44    50   0.39000  1.0 1.0
   37    41    44    50  -0.05800 -1.0 2.0
   37    41    44    50  -0.55150  1.0 3.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    44   7.00000 -1.0 2.0
   41    44    45    46   0.15000  1.0 3.0
   41    44    45    47   0.15000  1.0 3.0
   41    44    45    49   0.34400  1.0 1.0
   41    44    45    49   0.09450 -1.0 2.0
   41    44    45    49   0.11100  1.0 3.0
   41    44   -48    50   0.61850  1.0 1.0
   41    44   -48    50  -0.22750 -1.0 2.0
   41    44   -48    50   0.15300  1.0 3.0
   41    44    48    51  -0.98800  1.0 1.0
   41    44    48    51   0.48800 -1.0 2.0
   41    44    48    51   0.76800  1.0 3.0
   41    44    48    54   0.34400  1.0 1.0
   41    44    48    54   0.09450 -1.0 2.0
   41    44    48    54   0.11100  1.0 3.0
   41    44   -50    48  -0.77900  1.0 1.0
   41    44   -50    48  -0.36900 -1.0 2.0
   41    44   -50    48   0.40400  1.0 3.0
   42    41    44    45   0.09700  1.0 1.0
   42    41    44    45   0.15600 -1.0 2.0
   42    41    44    45  -0.50800  1.0 3.0
   42    41    44    48   0.09700  1.0 1.0
   42    41    44    48   0.15600 -1.0 2.0
   42    41    44    48  -0.50800  1.0 3.0
   42    41    44    50   0.09700  1.0 1.0
   42    41    44    50   0.15600 -1.0 2.0
   42    41    44    50  -0.50800  1.0 3.0
   44    45   -49    33   0.47050  1.0 1.0
   44    45   -49    33   0.03900 -1.0 2.0
   44    45   -49    33   0.20100  1.0 3.0
   44    45    49    58   0.47050  1.0 1.0
   44    45    49    58   0.03900 -1.0 2.0
   44    45    49    58   0.20100  1.0 3.0
   44    45    49    60   0.47050  1.0 1.0
   44    45    49    60   0.03900 -1.0 2.0
   44    45    49    60   0.20100  1.0 3.0
   44    48    51    52   0.30150 -1.0 2.0
   44    48    51    53   0.74550  1.0 1.0
   44    48    51    53  -0.00500 -1.0 2.0
   44    48    54    55   0.15000  1.0 3.0
   44    48    54    56   0.15000  1.0 3.0
   44    48    54    57   0.15000  1.0 3.0
   45    44   -48    50   0.02550  1.0 1.0
   45    44   -48    50  -0.02600 -1.0 2.0
   45    44   -48    50   1.20400  1.0 3.0
   45    44    48    51  -0.95700  1.0 1.0
   45    44    48    51  -0.18200 -1.0 2.0
   45    44    48    51   0.29450  1.0 3.0
   45    44    48    54   0.56750  1.0 1.0
   45    44    48    54  -0.07550 -1.0 2.0
   45    44    48    54   0.20000  1.0 3.0
   45    44   -50    48   0.06250  1.0 1.0
   45    44   -50    48  -0.01100 -1.0 2.0
   45    44   -50    48   0.28050  1.0 3.0
   45    49    58    59   0.15000  1.0 3.0
   45    49    58    64   0.56750  1.0 1.0
   45    49    58    64  -0.07550 -1.0 2.0
   45    49    58    64   0.20000  1.0 3.0
   45    49    58    66   0.56750  1.0 1.0
   45    49    58    66  -0.07550 -1.0 2.0
   45    49    58    66   0.20000  1.0 3.0
   45    49    60    61   0.15000  1.0 3.0
   45    49    60    62   0.15000  1.0 3.0
   45    49    60    63   0.15000  1.0 3.0
   46    45    49    33   0.15000  1.0 3.0
   46    45    49    58   0.15000  1.0 3.0
   46    45    49    60   0.15000  1.0 3.0
   47    45    49    33   0.15000  1.0 3.0
   47    45    49    58   0.15000  1.0 3.0
   47    45    49    60   0.15000  1.0 3.0
   49    33    37    38   0.00000  1.0 1.0
   49    33   -37    41   0.09850  1.0 1.0
   49    33   -37    41   0.15250 -1.0 2.0
   49    33   -37    41  -0.50650  1.0 3.0
   49    33    39    70   0.07850  1.0 1.0
   49    33    39    70  -0.03950 -1.0 2.0
   49    33    39    70   0.67350  1.0 3.0
   49    33    39    40   0.15000  1.0 3.0
   49    33    39    43   0.02550  1.0 1.0
   49    33    39    43  -0.02600 -1.0 2.0
   49    33    39    43   1.20400  1.0 3.0
   49    58    64    65   0.15000  1.0 3.0
   49    58   -64    70   0.47050  1.0 1.0
   49    58   -64    70   0.03900 -1.0 2.0
   49    58   -64    70   0.20100  1.0 3.0
   49    58    64    72   0.62750  1.0 1.0
   49    58    64    72  -0.30950 -1.0 2.0
   49    58    64    72   0.27300  1.0 3.0
   49    58    66    67   0.15000  1.0 3.0
   49    58    66    68   0.15000  1.0 3.0
   49    58    66    69   0.15000  1.0 3.0
   58    49    60    61   0.15000  1.0 3.0
   58    49    60    62   0.15000  1.0 3.0
   58    49    60    63   0.15000  1.0 3.0
   58    64    70    71   0.15000  1.0 3.0
   58    64    70    39   0.07850  1.0 1.0
   58    64    70    39  -0.03950 -1.0 2.0
   58    64    70    39   0.67350  1.0 3.0
   58    64    70    43   0.02550  1.0 1.0
   58    64    70    43  -0.02600 -1.0 2.0
   58    64    70    43   1.20400  1.0 3.0
   58    64    72    73  -0.25900  1.0 1.0
   58    64    72    73  -0.47000 -1.0 2.0
   58    64    72    73   0.11750  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    70   0.15000  1.0 3.0
   59    58    64    72   0.23400  1.0 3.0
   59    58    66    67   0.15000  1.0 3.0
   59    58    66    68   0.15000  1.0 3.0
   59    58    66    69   0.15000  1.0 3.0
   64    58    66    67   0.15000  1.0 3.0
   64    58    66    68   0.15000  1.0 3.0
   64    58    66    69   0.15000  1.0 3.0
   64    70   -39    33   0.56750  1.0 1.0
   64    70   -39    33  -0.07550 -1.0 2.0
   64    70   -39    33   0.20000  1.0 3.0
   64    70    39    40   0.15000  1.0 3.0
   64    70   -39    43   0.02550  1.0 1.0
   64    70   -39    43  -0.02600 -1.0 2.0
   64    70   -39    43   1.20400  1.0 3.0
   64    70   -43    39   0.06250  1.0 1.0
   64    70   -43    39  -0.01100 -1.0 2.0
   64    70   -43    39   0.28050  1.0 3.0
   64    72    73    74   3.00000 -1.0 2.0
   64    72    73    75   1.63150  1.0 1.0
   64    72    73    75   2.92000 -1.0 2.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    39   0.15000  1.0 3.0
   65    64    70    43   0.23400  1.0 3.0
   65    64    72    73   0.08050  1.0 3.0
   70    64    72    73  -0.25900  1.0 1.0
   70    64    72    73  -0.47000 -1.0 2.0
   70    64    72    73   0.11750  1.0 3.0
   71    70    39    33   0.15000  1.0 3.0
   71    70    39    40   0.15000  1.0 3.0
   71    70   -39    43   0.23400  1.0 3.0
   71    70   -43    39   0.36800  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.09850  1.0 1.0
   39    33    37    41   0.15250 -1.0 2.0
   39    33    37    41  -0.50650  1.0 3.0
   39    33    49    45   0.47050  1.0 1.0
   39    33    49    45   0.03900 -1.0 2.0
   39    33    49    45   0.20100  1.0 3.0
   39    33   -49    58   0.47050  1.0 1.0
   39    33   -49    58   0.03900 -1.0 2.0
   39    33   -49    58   0.20100  1.0 3.0
   39    33    49    60   0.47050  1.0 1.0
   39    33    49    60   0.03900 -1.0 2.0
   39    33    49    60   0.20100  1.0 3.0
   40    39   -43    70   0.36800  1.0 3.0
   43    70   -39    33   0.02550  1.0 1.0
   43    70   -39    33  -0.02600 -1.0 2.0
   43    70   -39    33   1.20400  1.0 3.0
   43    70   -39    40   0.23400  1.0 3.0
   72    64    70    71   0.23400  1.0 3.0
   72    64    70    39  -0.26800  1.0 1.0
   72    64    70    39   0.69150 -1.0 2.0
   72    64    70    39  -0.48750  1.0 3.0
   72    64    70    43   1.11900  1.0 1.0
   72    64    70    43  -1.16350 -1.0 2.0
   72    64    70    43  -0.34150  1.0 3.0
   72    73    75    76   0.00000  1.0 1.0
   72    73    75    77   0.00000  1.0 1.0
   72    73    75    78   0.00000  1.0 1.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    75    78   0.00000  1.0 1.0
   66    58    64    65   0.15000  1.0 3.0
   66    58    64    70   0.47050  1.0 1.0
   66    58    64    70   0.03900 -1.0 2.0
   66    58    64    70   0.20100  1.0 3.0
   66    58    64    72   0.62750  1.0 1.0
   66    58    64    72  -0.30950 -1.0 2.0
   66    58    64    72   0.27300  1.0 3.0
   60    49    58    59   0.15000  1.0 3.0
   60    49    58    64   0.56750  1.0 1.0
   60    49    58    64  -0.07550 -1.0 2.0
   60    49    58    64   0.20000  1.0 3.0
   60    49    58    66   0.56750  1.0 1.0
   60    49    58    66  -0.07550 -1.0 2.0
   60    49    58    66   0.20000  1.0 3.0
   48    44    45    46   0.15000  1.0 3.0
   48    44    45    47   0.15000  1.0 3.0
   48    44    45    49   0.07850  1.0 1.0
   48    44    45    49  -0.03950 -1.0 2.0
   48    44    45    49   0.67350  1.0 3.0
   50    44    45    46   0.23400  1.0 3.0
   50    44    45    47   0.23400  1.0 3.0
   50    44    45    49   0.02550  1.0 1.0
   50    44    45    49  -0.02600 -1.0 2.0
   50    44    45    49   1.20400  1.0 3.0
   50    44   -48    51  -0.09450  1.0 1.0
   50    44   -48    51  -1.12950 -1.0 2.0
   50    44   -48    51   0.54000  1.0 3.0
   50    44   -48    54   0.02550  1.0 1.0
   50    44   -48    54  -0.02600 -1.0 2.0
   50    44   -48    54   1.20400  1.0 3.0
   50    48    51    52   0.30150 -1.0 2.0
   50    48    51    53   0.00000  1.0 1.0
   50    48    54    55   0.23400  1.0 3.0
   50    48    54    56   0.23400  1.0 3.0
   50    48    54    57   0.23400  1.0 3.0
   51    48   -50    44  -1.11000  1.0 1.0
   51    48   -50    44   0.50250 -1.0 2.0
   51    48   -50    44   0.47450  1.0 3.0
   51    48    54    55  -0.11250  1.0 3.0
   51    48    54    56  -0.11250  1.0 3.0
   51    48    54    57  -0.11250  1.0 3.0
   54    48   -50    44   0.06250  1.0 1.0
   54    48   -50    44  -0.01100 -1.0 2.0
   54    48   -50    44   0.28050  1.0 3.0
   54    48    51    52   0.30150 -1.0 2.0
   54    48    51    53   0.74550  1.0 1.0
   54    48    51    53  -0.00500 -1.0 2.0
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
   33    38    37    41   1.10000 -1.0 2.0
   44    42    41    37   1.10000 -1.0 2.0
   72    75    73    74  10.50000 -1.0 2.0
   48    53    51    52  10.50000 -1.0 2.0
END
