* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    147    233     436
    1     0 S   NP   _N1_     1    29.32835    92.63845   -16.60847
    2     1 S   H    _HN1     2     1.02795    85.77446   -25.87261
    3     1 S   H    _H1_     3     1.03235   138.08899    85.83977
    4     1 S   H    _H2_     4     1.02787    32.37802   107.85880
    5     1 S   CT   _CA1     5     1.49937    99.63309  -137.53605
    6     5 S   HC   _HA1     6     1.09570   105.22232    32.49923
    7     5 S   CO3  _C1_     7     1.53795   112.41490   -87.83028
    8     7 S   O2Z  _O11     8     1.26329   115.24010   -51.49027
    9     7 S   O2Z  _O12     9     1.26264   114.80937   127.65790
   10     5 S   CT   _CB1    10     1.52985   107.45843   150.49706
   11    10 S   HC   HB11    11     1.09639   109.70293   -48.96197
   12    10 S   HC   HB12    12     1.09749   110.42713    67.54682
   13    10 S   CT   _CG1    13     1.52814   112.67164  -169.56165
   14    13 S   HC   HG11    14     1.09572   111.33813   -60.37724
   15    13 S   HC   HG12    15     1.09595   110.64848    58.84521
   16    13 S   C    _CD1    16     1.51420   110.19054   178.63084
   17    16 S   O    _OE1    17     1.22815   121.87177   -99.39281
   18    16 S   N    _N2_    18     1.38298   112.67689    79.54883
   19    18 S   H    _HN2    19     1.01583   118.90355     5.36012
   20    18 S   CT1  _CA2    20     1.45805   123.09935   177.81376
   21    20 S   HC   _HA2    21     1.09716   109.02941    24.97999
   22    20 S   C    _C2_    22     1.52941   106.88747   -92.12399
   23    22 S   O    _O2_    23     1.22958   122.91648   -27.67973
   24    20 S   CT   _CB2    32     1.53073   111.77781   148.48006
   25    24 S   HC   HB21    33     1.09536   109.89239    50.46921
   26    24 S   HC   HB22    34     1.09525   110.71185   169.33004
   27    22 S   N    _N3_    24     1.38620   112.45191   155.01666
   28    27 S   H    _HN3    25     1.01505   119.74394     1.62401
   29    24 S   S    _SG2    35     1.82624   111.25075   -70.93085
   30    27 S   CT   _CA3    26     1.45449   122.73731   176.43982
   31    30 S   HC   HA31    27     1.09546   108.86056    32.06606
   32    30 S   HC   HA32    28     1.09482   107.22048   149.09066
   33    29 S   CT   _C10    36     1.83381    98.97749   165.16225
   34    33 S   HC   _H6_    37     1.10004   104.97798    42.71653
   35    30 S   CO3  _C3_    29     1.53001   113.48287   -91.03105
   36    35 S   O2Z  _O31    30     1.26373   115.65369   -37.39828
   37    35 S   O2Z  _O32    31     1.26391   114.81800   143.51106
   38    33 S   CT   _C9_    38     1.54539   115.25650   -76.20077
   39    38 S   HC   _H5_    39     1.09677   111.08364    78.89995
   40    33 S   CT   _C11    50     1.55809   113.43536   163.40858
   41    40 S   OM   _O33    51     1.32484   109.63986  -104.79981
   42    40 S   HC   _H7_    52     1.09619   109.13383    25.47747
   43    38 S   CT   _C8_    40     1.54789   117.34674   -46.18349
   44    43 S   HC   _H14    41     1.09544   110.29931    64.02065
   45    43 S   HC   _H15    42     1.09936   107.08607   178.96240
   46    43 S   CT   _C7_    43     1.54179   114.77341   -62.09150
   47    46 S   HC   _H4_    44     1.09724   109.60125  -149.89054
   48    46 S   CT   _C6_    45     1.54196   113.38296   -29.31124
   49    48 S   HC   _H12    46     1.09872   108.30998   -88.54903
   50    48 S   HC   _H13    47     1.09706   110.26043   154.83348
   51    46 S   OS   _O34    58     1.44468   109.96619    91.41282
   52    48 S   CT   _C5_    48     1.54842   113.69248    31.56298
   53    52 S   HC   _H3_    49     1.09888   107.51645  -175.61005
   54    51 S   CO4  _C12    59     1.36316   118.45945    87.88163
   55    54 S   O    _O35    60     1.22485   125.11268    -2.93011
   56    38 S   NT   _N4_    53     1.47394   103.50949  -161.34859
   57    54 S   CT   _C13    61     1.52713   109.86193  -179.79633
   58    57 S   HC   _H8_    62     1.09915   104.58726    72.68725
   59    56 S   CT   _C4_    54     1.45811   113.83762   -78.00120
   60    59 S   HC   _H9_    55     1.09566   109.87309   -63.44588
   61    59 S   HC   _H10    56     1.09563   109.96205   179.65338
   62    59 S   HC   _H11    57     1.09337   114.55671    57.99457
   63    57 S   CA   _C15    63     1.52269   113.07636  -171.00016
   64    57 S   CT   _C14    74     1.53642   112.94340   -43.64624
   65    64 S   HC   _H16    75     1.09577   110.94110  -176.95117
   66    64 S   HC   _H17    76     1.09533   110.70692    63.30983
   67    63 S   CA   _C16    64     1.40388   119.67154  -126.34969
   68    67 S   HA   _H19    65     1.08778   120.45038     0.28871
   69    64 S   OH   _O36    77     1.42268   111.16772   -56.37144
   70    69 S   HO   _H18    78     0.97264   106.99946   178.07502
   71    67 S   CA   _C17    66     1.39618   120.75010  -179.94766
   72    71 S   HA   _H20    67     1.08642   119.91623  -179.76930
   73    71 S   CA   _C18    68     1.39268   120.08424     0.43790
   74    73 S   HA   _H21    69     1.08618   120.05873   179.81977
   75    73 S   CA   _C19    70     1.39274   119.87825     0.18557
   76    75 S   HA   _H22    71     1.08640   119.99743   179.58978
   77    63 S   CA   _C20    72     1.40384   121.87004    54.72953
   78    77 S   HA   _H23    73     1.08744   120.50976    -0.39067
  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
  15   8   2   1   1  18   8  11   5   4  12   6   5  11   6   8
   5   4   7   6   2  10   4   4  13   7   3   2   1   1  13   6
   3   2   8   4   1   1   6   3   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    52    40    41    42    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    45    46    48    52    53    40    41    42    56    59  
   38    39    43    52    40    41    42    56  
   36    37  
   37  
    0  
   39    43    44    45    46    47    48    52    53    40    41    42    56    59    60    61    62    51  
   43    44    45    46    52    40    56    59  
   41    42    56    59    43    46    48    49    50    52    53  
   42    56    48    52    53  
   56    48    52    53  
   44    45    46    47    48    49    50    52    56    59    51    54  
   45    46    47    48    56    51  
   46    47    48    56    51  
   47    48    49    50    52    53    56    51    54    55    57  
   48    49    50    52    51    54  
   49    50    52    53    56    59    51    54  
   50    52    53    56    51  
   52    53    56    51  
   54    55    57    58    63    64    52  
   53    56    59    60    61    62  
   56    59  
   55    57    58    63    67    77    64    65    66    69  
   57    58    63    64  
   59    60    61    62  
   58    63    67    68    71    75    77    78    64    65    66    69    70  
   63    67    77    64    65    66    69  
   60    61    62  
   61    62  
   62  
    0  
   67    68    71    72    73    75    76    77    78    64    65    66    69  
   65    66    69    70    67    77  
   66    69    70  
   69    70  
   68    71    72    73    74    75    77    78  
   71    72    73    77  
   70  
    0  
   72    73    74    75    76    77  
   73    74    75  
   74    75    76    77    78  
   75    76    77  
   76    77    78  
   77    78  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   57   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    43   268.000  1.529
   38    56   382.000  1.448
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    51   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   268.000  1.529
   52    53   340.000  1.090
   52    40   268.000  1.529
   52    56   382.000  1.448
   40    41   570.000  1.307
   40    42   340.000  1.090
   56    59   382.000  1.448
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   51    54   214.000  1.327
   54    55   570.000  1.229
   54    57   317.000  1.522
   57    58   340.000  1.090
   57    63   317.000  1.510
   57    64   268.000  1.529
   63    67   469.000  1.400
   63    77   469.000  1.400
   67    68   367.000  1.080
   67    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   320.000  1.410
   69    70   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    38    56    56.20000  109.47000
   33    40    52    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    46    58.35000  112.70000
   38    56    52    51.80000  107.20000
   38    56    59    51.80000  107.20000
   43    38    39    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    48    58.35000  112.70000
   43    46    51    50.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    52    58.35000  112.70000
   46    51    54    83.00000  116.90000
   48    46    47    37.50000  110.70000
   48    52    53    37.50000  110.70000
   48    52    40    58.35000  112.70000
   48    52    56    56.20000  109.47000
   50    48    49    33.00000  107.80000
   52    48    49    37.50000  110.70000
   52    48    50    37.50000  110.70000
   52    40    41    50.00000  109.50000
   52    40    42    37.50000  110.70000
   52    56    59    51.80000  107.20000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    52    53    37.50000  110.70000
   42    40    41    45.00000  125.66300
   56    38    39    35.00000  109.50000
   56    38    43    56.20000  109.47000
   56    52    53    35.00000  109.50000
   56    52    40    56.20000  109.47000
   56    59    60    35.00000  109.50000
   56    59    61    35.00000  109.50000
   56    59    62    35.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    48    50.00000  109.50000
   51    54    55    83.00000  123.40000
   51    54    57    81.00000  111.40000
   54    57    58    35.00000  109.50000
   54    57    63    70.00000  110.93000
   54    57    64    63.00000  111.10000
   57    54    55    80.00000  120.40000
   57    63    67    70.00000  120.00000
   57    63    77    70.00000  120.00000
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    69    50.00000  109.50000
   63    57    58    35.00000  109.50000
   63    67    68    35.00000  120.00000
   63    67    71    63.00000  120.00000
   63    77    75    63.00000  120.00000
   63    77    78    35.00000  120.00000
   67    71    72    35.00000  120.00000
   67    71    73    63.00000  120.00000
   71    67    68    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  120.00000
   77    63    67    63.00000  120.00000
   77    75    76    35.00000  120.00000
   64    57    58    37.50000  110.70000
   64    57    63    70.00000  112.17500
   64    69    70    55.00000  108.50000
   66    64    65    33.00000  107.80000
   69    64    65    35.00000  109.50000
   69    64    66    35.00000  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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    38    56   0.56750  1.0 1.0
   29    33    38    56  -0.07550 -1.0 2.0
   29    33    38    56   0.20000  1.0 3.0
   29    33    40    52   0.44750  1.0 1.0
   29    33    40    52  -0.17800 -1.0 2.0
   29    33    40    52   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    46   0.56750  1.0 1.0
   33    38    43    46  -0.07550 -1.0 2.0
   33    38    43    46   0.20000  1.0 3.0
   33    38   -56    52   0.23450  1.0 1.0
   33    38   -56    52   0.02050 -1.0 2.0
   33    38   -56    52   0.25250  1.0 3.0
   33    38    56    59   0.58650  1.0 1.0
   33    38    56    59   0.12600 -1.0 2.0
   33    38    56    59   0.33350  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    38    56   0.15000  1.0 3.0
   34    33    40    52   0.15000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   38    33   -40    52   0.56750  1.0 1.0
   38    33   -40    52  -0.07550 -1.0 2.0
   38    33   -40    52   0.20000  1.0 3.0
   38    33    40    41   0.62750  1.0 1.0
   38    33    40    41  -0.30950 -1.0 2.0
   38    33    40    41   0.27300  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    43    46    47   0.15000  1.0 3.0
   38    43    46    48   0.56750  1.0 1.0
   38    43    46    48  -0.07550 -1.0 2.0
   38    43    46    48   0.20000  1.0 3.0
   38    43    46    51   0.62750  1.0 1.0
   38    43    46    51  -0.30950 -1.0 2.0
   38    43    46    51   0.27300  1.0 3.0
   38    56    59    60   0.28000  1.0 3.0
   38    56    59    61   0.28000  1.0 3.0
   38    56    59    62   0.28000  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    46   0.15000  1.0 3.0
   39    38    56    52   0.28000  1.0 3.0
   39    38    56    59   0.28000  1.0 3.0
   43    38    56    52   0.23450  1.0 1.0
   43    38    56    52   0.02050 -1.0 2.0
   43    38    56    52   0.25250  1.0 3.0
   43    38    56    59   0.58650  1.0 1.0
   43    38    56    59   0.12600 -1.0 2.0
   43    38    56    59   0.33350  1.0 3.0
   43    46    48    49   0.15000  1.0 3.0
   43    46    48    50   0.15000  1.0 3.0
   43    46   -48    52   0.56750  1.0 1.0
   43    46   -48    52  -0.07550 -1.0 2.0
   43    46   -48    52   0.20000  1.0 3.0
   43    46    51    54  -0.25900  1.0 1.0
   43    46    51    54  -0.47000 -1.0 2.0
   43    46    51    54   0.11750  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    51   0.23400  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    48   0.15000  1.0 3.0
   45    43    46    51   0.23400  1.0 3.0
   46    48    52    53   0.15000  1.0 3.0
   46    48    52    40   0.56750  1.0 1.0
   46    48    52    40  -0.07550 -1.0 2.0
   46    48    52    40   0.20000  1.0 3.0
   46    48    52    56   1.53400  1.0 1.0
   46    48    52    56  -0.09950 -1.0 2.0
   46    48    52    56   0.05700  1.0 3.0
   46    51    54    55   3.00000 -1.0 2.0
   46    51    54    57   1.63150  1.0 1.0
   46    51    54    57   2.92000 -1.0 2.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    52   0.15000  1.0 3.0
   47    46    51    54   0.08050  1.0 3.0
   48    46    51    54  -0.25900  1.0 1.0
   48    46    51    54  -0.47000 -1.0 2.0
   48    46    51    54   0.11750  1.0 3.0
   48    52    40    33   0.56750  1.0 1.0
   48    52    40    33  -0.07550 -1.0 2.0
   48    52    40    33   0.20000  1.0 3.0
   48    52    40    41   0.62750  1.0 1.0
   48    52    40    41  -0.30950 -1.0 2.0
   48    52    40    41   0.27300  1.0 3.0
   48    52    40    42   0.15000  1.0 3.0
   48    52   -56    38   0.23450  1.0 1.0
   48    52   -56    38   0.02050 -1.0 2.0
   48    52   -56    38   0.25250  1.0 3.0
   48    52    56    59   0.58650  1.0 1.0
   48    52    56    59   0.12600 -1.0 2.0
   48    52    56    59   0.33350  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    40   0.15000  1.0 3.0
   49    48    52    56   0.15000  1.0 3.0
   50    48    52    53   0.15000  1.0 3.0
   50    48    52    40   0.15000  1.0 3.0
   50    48    52    56   0.15000  1.0 3.0
   52    56    59    60   0.28000  1.0 3.0
   52    56    59    61   0.28000  1.0 3.0
   52    56    59    62   0.28000  1.0 3.0
   53    52    40    33   0.15000  1.0 3.0
   53    52    40    41   0.23400  1.0 3.0
   53    52    40    42   0.15000  1.0 3.0
   53    52    56    38   0.28000  1.0 3.0
   53    52    56    59   0.28000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    43   0.56750  1.0 1.0
   40    33    38    43  -0.07550 -1.0 2.0
   40    33    38    43   0.20000  1.0 3.0
   40    33   -38    56   1.53400  1.0 1.0
   40    33   -38    56  -0.09950 -1.0 2.0
   40    33   -38    56   0.05700  1.0 3.0
   40    52   -56    38   0.23450  1.0 1.0
   40    52   -56    38   0.02050 -1.0 2.0
   40    52   -56    38   0.25250  1.0 3.0
   40    52    56    59   0.58650  1.0 1.0
   40    52    56    59   0.12600 -1.0 2.0
   40    52    56    59   0.33350  1.0 3.0
   56    38    43    44   0.15000  1.0 3.0
   56    38    43    45   0.15000  1.0 3.0
   56    38   -43    46   1.53400  1.0 1.0
   56    38   -43    46  -0.09950 -1.0 2.0
   56    38   -43    46   0.05700  1.0 3.0
   56    52   -40    33   1.53400  1.0 1.0
   56    52   -40    33  -0.09950 -1.0 2.0
   56    52   -40    33   0.05700  1.0 3.0
   56    52    40    41   1.74050  1.0 1.0
   56    52    40    42   0.15000  1.0 3.0
   51    46    48    49   0.23400  1.0 3.0
   51    46    48    50   0.23400  1.0 3.0
   51    46    48    52   0.62750  1.0 1.0
   51    46    48    52  -0.30950 -1.0 2.0
   51    46    48    52   0.27300  1.0 3.0
   51    54    57    58   0.00000  1.0 1.0
   51    54    57    63   0.40000  1.0 3.0
   51    54    57    64   0.36750  1.0 3.0
   54    57    63    67   0.04300 -1.0 2.0
   54    57    63    77   0.04300 -1.0 2.0
   54    57    64    65  -0.11250  1.0 3.0
   54    57    64    66  -0.11250  1.0 3.0
   54    57    64    69  -0.09450  1.0 1.0
   54    57    64    69  -1.12950 -1.0 2.0
   54    57    64    69   0.54000  1.0 3.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    63   0.30150 -1.0 2.0
   55    54    57    64   0.30150 -1.0 2.0
   57    63    67    68   3.62500 -1.0 2.0
   57    63    67    71   3.62500 -1.0 2.0
   57    63    77    75   3.62500 -1.0 2.0
   57    63    77    78   3.62500 -1.0 2.0
   57    64    69    70  -0.11600  1.0 1.0
   57    64    69    70  -0.09450 -1.0 2.0
   57    64    69    70   0.21250  1.0 3.0
   58    57    63    67   0.00000  1.0 1.0
   58    57    63    77   0.00000  1.0 1.0
   58    57    64    65   0.15000  1.0 3.0
   58    57    64    66   0.15000  1.0 3.0
   58    57    64    69   0.23400  1.0 3.0
   63    57    64    65   0.43200  1.0 3.0
   63    57    64    66   0.43200  1.0 3.0
   63    57    64    69   1.13150  1.0 1.0
   63    57    64    69  -1.01400 -1.0 2.0
   63    67    71    72   3.62500 -1.0 2.0
   63    67    71    73   3.62500 -1.0 2.0
   67    63    77    75   3.62500 -1.0 2.0
   67    63    77    78   3.62500 -1.0 2.0
   67    71    73    74   3.62500 -1.0 2.0
   67    71   -73    75   3.62500 -1.0 2.0
   68    67    71    72   3.62500 -1.0 2.0
   68    67    71    73   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75   -77    63   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   76    75    77    63   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   77    63    67    68   3.62500 -1.0 2.0
   77    63   -67    71   3.62500 -1.0 2.0
   64    57    63    67   0.04150 -1.0 2.0
   64    57    63    77   0.04150 -1.0 2.0
   65    64    69    70   0.19450  1.0 3.0
   66    64    69    70   0.19450  1.0 3.0
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
   51    57    54    55  10.50000 -1.0 2.0
   67    77    63    57   4.00000 -1.0 2.0
   71    68    67    63   1.10000 -1.0 2.0
   73    72    71    67   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   75    78    77    63   1.10000 -1.0 2.0
END
