* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    142    228     416
    1     0 S   NP   _N1_     1    28.83220    95.14223   -21.80221
    2     1 S   H    _HN1     2     1.02952    83.16357    21.92326
    3     1 S   H    _H1_     3     1.02827    33.43509   157.83789
    4     1 S   H    _H2_     4     1.02775    94.52606   -86.05866
    5     1 S   CT   _CA1     5     1.50096   142.81667   136.91070
    6     5 S   HC   _HA1     6     1.09575   105.22407    71.31488
    7     5 S   CO3  _C1_     7     1.53760   112.42477   -48.91682
    8     7 S   O2Z  _O11     8     1.26366   114.96733   -43.45200
    9     7 S   O2Z  _O12     9     1.26228   114.90426   135.73785
   10     5 S   CT   _CB1    10     1.53075   107.43294  -170.74072
   11    10 S   HC   HB11    11     1.09825   109.32943   -50.60432
   12    10 S   HC   HB12    12     1.09816   110.46424    65.99275
   13    10 S   CT   _CG1    13     1.52957   112.59323  -171.66473
   14    13 S   HC   HG11    14     1.09610   110.49540   -64.99397
   15    13 S   HC   HG12    15     1.09664   109.92237    54.22490
   16    13 S   C    _CD1    16     1.51793   112.34186   174.60283
   17    16 S   O    _OE1    17     1.22714   123.36453     1.20301
   18    16 S   N    _N2_    18     1.38585   111.50938  -178.80057
   19    18 S   H    _HN2    19     1.01591   118.88110     1.58338
   20    18 S   CT1  _CA2    20     1.46250   123.53494   179.77532
   21    20 S   HC   _HA2    21     1.09727   109.50657    -6.40919
   22    20 S   C    _C2_    22     1.53400   108.34392  -122.02327
   23    22 S   O    _O2_    23     1.23031   122.38207  -147.41734
   24    20 S   CT   _CB2    32     1.53353   111.04916   115.79743
   25    24 S   HC   HB21    33     1.09323   109.16619    55.38723
   26    24 S   HC   HB22    34     1.09505   110.68007   173.62723
   27    22 S   N    _N3_    24     1.38365   113.48608    40.03635
   28    27 S   H    _HN3    25     1.01636   119.49216    -3.60636
   29    24 S   S    _SG2    35     1.82976   111.00111   -67.47587
   30    27 S   CT   _CA3    26     1.45284   123.14371   176.98513
   31    30 S   HC   HA31    27     1.09552   107.52488   -63.84416
   32    30 S   HC   HA32    28     1.09558   107.94823    52.56371
   33    29 S   CT   _C5_    36     1.86924   102.34261   147.27316
   34    30 S   CO3  _C3_    29     1.52938   114.13310   174.54260
   35    34 S   O2Z  _O31    30     1.26367   116.06110    -0.92915
   36    34 S   O2Z  _O32    31     1.26430   114.41105   179.13385
   37    33 S   CT   _C7_    37     1.55734   108.83971   -71.96683
   38    37 S   HC   _H3_    38     1.09913   109.78803    55.83883
   39    33 S   CT   _C4_    69     1.54427   104.25655   168.99007
   40    39 S   HC   _H4_    70     1.09686   112.03100   -58.25073
   41    39 S   HC   _H5_    71     1.09619   112.27534    62.74192
   42    39 S   HC   _H6_    72     1.09509   111.23547  -177.23955
   43    33 S   CT   _C6_    73     1.54521   111.20718    50.88930
   44    43 S   HC   _H7_    74     1.09560   110.32823   175.72021
   45    43 S   HC   _H8_    75     1.09436   112.05841   -65.04158
   46    37 S   CT   _C8_    39     1.54022   115.13827   177.22822
   47    46 S   HC   _H10    40     1.09229   112.00712    33.23823
   48    46 S   HC   _H11    41     1.09301   110.32301   -90.17963
   49    37 S   OS   _O36    49     1.45042   110.94739   -61.25278
   50    43 S   OH   _O33    76     1.42313   111.70661    57.01645
   51    50 S   HO   _H9_    77     0.97242   107.20159  -179.77272
   52    46 S   CA   _C9_    42     1.49006   100.55320   149.76629
   53    52 S   CA   _C14    43     1.40120   131.76604   164.24189
   54    53 S   CA   _C13    44     1.42137   115.82977  -177.73955
   55    53 S   NE   _N4_    64     1.41108   125.21043     0.61897
   56    54 S   CA   _C12    45     1.41449   121.62318    -4.05289
   57    54 S   CO4  _C21    52     1.48699   118.24491   175.35480
   58    57 S   O    _O34    53     1.22518   121.04789   170.64016
   59    55 S   CT   _C22    65     1.46312   119.88482    23.39716
   60    59 S   HC   _H17    66     1.09452   110.87028   -90.94672
   61    59 S   HC   _H18    67     1.09665   112.37922   147.79072
   62    59 S   HC   _H19    68     1.09403   111.79017    32.04037
   63    56 S   CA   _C11    46     1.38838   120.84528     2.13249
   64    63 S   HA   _H12    47     1.08459   121.39691   179.27449
   65    56 S   OH   _O35    50     1.36944   123.43732  -178.49026
   66    65 S   HO   _H20    51     0.97332   109.01331     0.85042
   67    57 S   CA   _C20    54     1.47620   118.94331   -10.65549
   68    52 S   CA   _C10    48     1.39597   106.98865   -16.31594
   69    67 S   CA   _C19    55     1.40193   119.37797  -168.26743
   70    69 S   HA   _H16    56     1.08678   121.14321    -0.22728
   71    69 S   CA   _C18    57     1.39086   119.80782   179.26299
   72    71 S   HA   _H15    58     1.08603   120.16554  -179.70725
   73    71 S   CA   _C17    59     1.39028   119.66225    -0.26095
   74    73 S   HA   _H14    60     1.08658   119.95319  -179.14682
   75    73 S   CA   _C16    61     1.39902   120.21862     0.57267
   76    75 S   HA   _H13    62     1.08705   117.29706  -178.51721
   77    67 S   CA   _C15    63     1.40356   118.84289    11.98936
  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  13   5   4   3
  17   2   1   1  17   8   9   3   2   1   6   3   2   9   5   4
   6   1   1  10  15  13  13   8   9   3   6   3   2   1   4   2
   2   1   8   1   7   4   6   3   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    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    49    39    40    41    42    43    44    45    50  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    48    52    68    49    39    40    41    42    43    44    45    50    51  
   35    36  
   36  
    0  
   38    46    47    48    52    53    63    68    49    39    40    41    42    43    44    45    50  
   46    47    48    52    68    49    39    43  
   40    41    42    43    44    45    50    46    49  
   41    42    43  
   42    43  
   43  
   44    45    50    51    46    49  
   45    50    51  
   50    51  
   47    48    52    53    54    63    68    49    55  
   48    52    53    68    49  
   52    53    68    49  
   52    53    56    63    64    68  
   51  
    0  
   53    54    56    63    64    68    57    77    55    59  
   54    56    63    68    65    57    58    67    75    77    55    59    60    61    62  
   56    63    64    68    65    66    57    58    67    69    77    55    59  
   59    60    61    62    56    57    67    68    69    73    75    76    77  
   63    64    68    65    66    57    58    67  
   58    67    69    70    71    75    77    63    65  
   67    69    77  
   60    61    62    67    75    77  
   61    62    77  
   62    77  
   77  
   64    68    65    66  
   68    65  
   66    68  
    0  
   69    70    71    72    73    75    76    77  
    0  
   70    71    72    73    74    75    77  
   71    72    73    77  
   72    73    74    75    76    77  
   73    74    75  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.145000   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  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   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   0.210000   2.5000   1.7750   0.001000000  -0.843144165
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   268.000  1.529
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    46   268.000  1.529
   37    49   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    52   317.000  1.510
   52    53   469.000  1.400
   52    68   469.000  1.400
   53    54   469.000  1.400
   53    55   481.000  1.340
   54    56   469.000  1.400
   54    57   310.000  1.470
   56    63   469.000  1.400
   56    65   450.000  1.364
   63    64   367.000  1.080
   63    68   469.000  1.400
   68    49   450.000  1.364
   65    66   553.000  0.945
   57    58   570.000  1.229
   57    67   310.000  1.470
   67    69   469.000  1.400
   67    77   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    55   481.000  1.340
   55    59   382.000  1.448
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   320.000  1.410
   50    51   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    37    49    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    50    50.00000  109.50000
   37    46    47    37.50000  110.70000
   37    46    48    37.50000  110.70000
   37    46    52    70.00000  112.17500
   37    49    68    75.00000  111.00000
   46    37    38    37.50000  110.70000
   46    52    53    70.00000  120.00000
   46    52    68    70.00000  120.00000
   48    46    47    33.00000  107.80000
   52    46    47    35.00000  109.50000
   52    46    48    35.00000  109.50000
   52    53    54    63.00000  120.00000
   52    53    55    70.00000  120.10000
   52    68    63    63.00000  120.00000
   52    68    49    70.00000  120.00000
   53    54    56    63.00000  120.00000
   53    54    57    60.00000  119.52600
   53    55    77    50.00000  129.00000
   53    55    59    50.00000  120.00000
   54    56    63    63.00000  120.00000
   54    56    65    70.00000  120.00000
   54    57    58    75.00000  123.78400
   54    57    67    65.00000  116.00000
   56    63    64    35.00000  120.00000
   56    63    68    63.00000  120.00000
   56    65    66    35.00000  113.00000
   63    68    49    70.00000  120.00000
   68    52    53    63.00000  120.00000
   68    63    64    35.00000  120.00000
   49    37    38    35.00000  109.50000
   49    37    46    50.00000  109.50000
   65    56    63    70.00000  120.00000
   57    54    56    60.00000  119.52600
   57    67    69    60.00000  119.52600
   57    67    77    60.00000  119.52600
   67    57    58    75.00000  123.78400
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   67    77    75    63.00000  120.00000
   67    77    55    70.00000  120.10000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    55    70.00000  120.10000
   77    67    69    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    55    59    50.00000  120.00000
   55    53    54    70.00000  120.10000
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    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
   39    33    37    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    39    58.35000  112.70000
   43    50    51    55.00000  108.50000
   45    43    44    33.00000  107.80000
   50    43    44    35.00000  109.50000
   50    43    45    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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    37    49   0.56750  1.0 1.0
   29    33    37    49  -0.07550 -1.0 2.0
   29    33    37    49   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    50   0.56750  1.0 1.0
   29    33    43    50  -0.07550 -1.0 2.0
   29    33    43    50   0.20000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    48   0.15000  1.0 3.0
   33    37    46    52  -0.03700  1.0 1.0
   33    37    46    52   0.37200 -1.0 2.0
   33    37    46    52  -0.47300  1.0 3.0
   33    37    49    68  -0.32850  1.0 1.0
   33    37    49    68  -0.35800 -1.0 2.0
   33    37    49    68   0.33950  1.0 3.0
   33    43    50    51  -0.11600  1.0 1.0
   33    43    50    51  -0.09450 -1.0 2.0
   33    43    50    51   0.21250  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    50   0.86500  1.0 1.0
   37    33    43    50  -0.17500 -1.0 2.0
   37    33    43    50   0.20800  1.0 3.0
   37    46    52    53   0.04150 -1.0 2.0
   37    46   -52    68   0.04150 -1.0 2.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    48   0.15000  1.0 3.0
   38    37    46    52   0.43200  1.0 3.0
   38    37    49    68   0.08050  1.0 3.0
   46    37   -49    68  -0.32850  1.0 1.0
   46    37   -49    68  -0.35800 -1.0 2.0
   46    37   -49    68   0.33950  1.0 3.0
   46    52    53    54   3.62500 -1.0 2.0
   46    52    53    55   3.62500 -1.0 2.0
   46    52    68    63   3.62500 -1.0 2.0
   46    52   -68    49   3.62500 -1.0 2.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    68   0.00000  1.0 1.0
   48    46    52    53   0.00000  1.0 1.0
   48    46    52    68   0.00000  1.0 1.0
   52    53    54    56   3.62500 -1.0 2.0
   52    53    54    57   3.62500 -1.0 2.0
   52    53    55    77   0.17750 -1.0 2.0
   52    53    55    59  -1.00000  1.0 1.0
   52    53    55    59   1.25000 -1.0 2.0
   52    68   -49    37   1.63200 -1.0 2.0
   53    52    68    63   3.62500 -1.0 2.0
   53    52    68    49   3.62500 -1.0 2.0
   53    54   -56    63   3.62500 -1.0 2.0
   53    54    56    65   3.62500 -1.0 2.0
   53    54    57    58   1.05000 -1.0 2.0
   53    54    57    67   0.56600 -1.0 2.0
   53    55    59    60   0.00000  1.0 1.0
   53    55    59    61   0.00000  1.0 1.0
   53    55    59    62   0.00000  1.0 1.0
   54    53    55    77   0.17750 -1.0 2.0
   54    53    55    59  -1.00000  1.0 1.0
   54    53    55    59   1.25000 -1.0 2.0
   54    56    63    64   3.62500 -1.0 2.0
   54    56    63    68   3.62500 -1.0 2.0
   54    56    65    66   0.84100 -1.0 2.0
   54    57    67    69   0.56600 -1.0 2.0
   54    57   -67    77   0.56600 -1.0 2.0
   56    54    57    58   1.05000 -1.0 2.0
   56    54    57    67   0.56600 -1.0 2.0
   56    63   -68    52   3.62500 -1.0 2.0
   56    63    68    49   3.62500 -1.0 2.0
   63    56    65    66   0.84100 -1.0 2.0
   63    68    49    37   1.63200 -1.0 2.0
   64    63    68    52   3.62500 -1.0 2.0
   64    63    68    49   3.62500 -1.0 2.0
   68    52   -53    54   3.62500 -1.0 2.0
   68    52    53    55   3.62500 -1.0 2.0
   49    37    46    47   0.23400  1.0 3.0
   49    37    46    48   0.23400  1.0 3.0
   49    37   -46    52  -0.64350  1.0 1.0
   49    37   -46    52  -0.04200 -1.0 2.0
   49    37   -46    52   0.19800  1.0 3.0
   65    56    63    64   3.62500 -1.0 2.0
   65    56    63    68   3.62500 -1.0 2.0
   57    54    56    63   3.62500 -1.0 2.0
   57    54    56    65   3.62500 -1.0 2.0
   57    67    69    70   3.62500 -1.0 2.0
   57    67    69    71   3.62500 -1.0 2.0
   57    67    77    75   3.62500 -1.0 2.0
   57    67    77    55   3.62500 -1.0 2.0
   58    57    67    69   1.05000 -1.0 2.0
   58    57    67    77   1.05000 -1.0 2.0
   67    69    71    72   3.62500 -1.0 2.0
   67    69    71    73   3.62500 -1.0 2.0
   67    77   -55    53   0.17750 -1.0 2.0
   67    77    55    59  -1.00000  1.0 1.0
   67    77    55    59   1.25000 -1.0 2.0
   69    67    77    75   3.62500 -1.0 2.0
   69    67    77    55   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   69    71   -73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75   -77    67   3.62500 -1.0 2.0
   73    75    77    55   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
   75    77    55    53   0.17750 -1.0 2.0
   75    77    55    59  -1.00000  1.0 1.0
   75    77    55    59   1.25000 -1.0 2.0
   76    75    77    67   3.62500 -1.0 2.0
   76    75    77    55   3.62500 -1.0 2.0
   77    67    69    70   3.62500 -1.0 2.0
   77    67   -69    71   3.62500 -1.0 2.0
   77    55    59    60   0.00000  1.0 1.0
   77    55    59    61   0.00000  1.0 1.0
   77    55    59    62   0.00000  1.0 1.0
   55    53    54    56   3.62500 -1.0 2.0
   55    53   -54    57   3.62500 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    46   0.56750  1.0 1.0
   39    33    37    46  -0.07550 -1.0 2.0
   39    33    37    46   0.20000  1.0 3.0
   39    33    37    49   0.62750  1.0 1.0
   39    33    37    49  -0.30950 -1.0 2.0
   39    33    37    49   0.27300  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    50   0.86500  1.0 1.0
   39    33    43    50  -0.17500 -1.0 2.0
   39    33    43    50   0.20800  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    46   0.56750  1.0 1.0
   43    33    37    46  -0.07550 -1.0 2.0
   43    33    37    46   0.20000  1.0 3.0
   43    33    37    49   0.62750  1.0 1.0
   43    33    37    49  -0.30950 -1.0 2.0
   43    33    37    49   0.27300  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   44    43    50    51   0.19450  1.0 3.0
   45    43    50    51   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
   35    30    34    36  10.50000 -1.0 2.0
   53    68    52    46   4.00000 -1.0 2.0
   54    55    53    52   4.00000 -1.0 2.0
   56    57    54    53   4.00000 -1.0 2.0
   63    65    56    54   4.00000 -1.0 2.0
   68    64    63    56   1.10000 -1.0 2.0
   63    49    68    52   4.00000 -1.0 2.0
   54    67    57    58  10.50000 -1.0 2.0
   69    77    67    57   4.00000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   75    55    77    67   4.00000 -1.0 2.0
   59    53    55    77   1.00000 -1.0 2.0
END
