* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    141    227     413
    1     0 S   NP   _N1_     1    28.75179    95.21794   -21.67858
    2     1 S   H    _HN1     2     1.02829    34.27936   147.60773
    3     1 S   H    _H1_     3     1.02785    95.78726   -98.85435
    4     1 S   H    _H2_     4     1.02953    81.30639     8.88573
    5     1 S   CT   _CA1     5     1.50107   142.88743   121.36954
    6     5 S   HC   _HA1     6     1.09565   105.23928    74.68627
    7     5 S   CO3  _C1_     7     1.53805   112.42827   -45.67195
    8     7 S   O2Z  _O11     8     1.26374   114.98228   -42.42002
    9     7 S   O2Z  _O12     9     1.26236   115.00021   136.78626
   10     5 S   CT   _CB1    10     1.53087   107.43306  -167.20029
   11    10 S   HC   HB11    11     1.09829   109.53156   -48.81889
   12    10 S   HC   HB12    12     1.09816   110.37975    67.83529
   13    10 S   CT   _CG1    13     1.52971   112.55262  -169.75829
   14    13 S   HC   HG11    14     1.09596   110.61438   -63.27466
   15    13 S   HC   HG12    15     1.09662   109.83329    55.95622
   16    13 S   C    _CD1    16     1.51791   112.26736   176.55031
   17    16 S   O    _OE1    17     1.22720   123.32339     5.35460
   18    16 S   N    _N2_    18     1.38614   111.59670  -175.12279
   19    18 S   H    _HN2    19     1.01588   118.95542     2.75747
   20    18 S   CT1  _CA2    20     1.46253   123.48142  -179.93147
   21    20 S   HC   _HA2    21     1.09728   109.41086    -0.22900
   22    20 S   C    _C2_    22     1.53452   108.78505  -115.92502
   23    22 S   O    _O2_    23     1.23054   122.24573  -149.00914
   24    20 S   CT   _CB2    32     1.53360   111.13862   121.69572
   25    24 S   HC   HB21    33     1.09446   109.44692    56.33936
   26    24 S   HC   HB22    34     1.09501   110.66004   175.30160
   27    22 S   N    _N3_    24     1.38322   113.68447    38.49298
   28    27 S   H    _HN3    25     1.01604   119.55889    -3.47480
   29    24 S   S    _SG2    35     1.82818   111.20199   -64.95419
   30    27 S   CT   _CA3    26     1.45287   123.16328   177.04965
   31    30 S   HC   HA31    27     1.09551   107.51651   -64.32550
   32    30 S   HC   HA32    28     1.09558   107.96894    52.09655
   33    29 S   CT   _C23    36     1.83047    99.94647   170.93180
   34    33 S   HC   _H3_    37     1.09561   108.86213    46.69272
   35    30 S   CO3  _C3_    29     1.52946   114.11405   174.09445
   36    35 S   O2Z  _O31    30     1.26373   116.06919    -0.53413
   37    35 S   O2Z  _O32    31     1.26430   114.40993   179.52522
   38    33 S   CO4  _C20    38     1.50994   109.25727   -72.40917
   39    38 S   O    _O25    39     1.22785   121.84061    97.83888
   40    33 S   CT   _C22    70     1.51970   111.15167   166.03512
   41    40 S   HC   _H34    71     1.09669   110.52348   -52.84246
   42    40 S   HC   _H35    72     1.09746   110.08598  -171.14714
   43    38 S   CA   _C8_    40     1.48394   117.70349   -80.05080
   44    43 S   CA   _C4_    41     1.40008   118.36112   163.44739
   45    44 S   HA   _H30    42     1.08852   119.93939     1.41028
   46    44 S   CA   _C12    43     1.40282   120.96225  -177.94177
   47    46 S   CA   _C7_    44     1.41456   119.50502     0.07913
   48    46 S   CT   _C24    75     1.50653   118.75462  -179.77445
   49    48 S   HC   _H37    76     1.09451   110.45435   119.33728
   50    48 S   HC   _H38    77     1.09423   110.61525  -119.14025
   51    48 S   HC   _H39    78     1.09538   111.53114     0.16193
   52    47 S   CA   _C6_    45     1.48407   121.11197   179.40983
   53    47 S   CA   _C15    66     1.41521   118.74269    -0.34718
   54    52 S   CA   _C9_    46     1.42709   122.44726    90.03655
   55    43 S   CA   _C11    67     1.39771   121.20483   -15.03680
   56    53 S   OH   _O28    73     1.37528   116.62407  -179.52646
   57    56 S   HO   _H44    74     0.97334   109.30349  -178.94464
   58    54 S   CA   _C10    47     1.40975   120.09758   179.79347
   59    55 S   CO4  _C21    68     1.48817   119.52106    -3.68318
   60    59 S   O    _O26    69     1.22773   120.82261   176.15733
   61    58 S   CA   _C14    48     1.40185   119.59496    -0.14804
   62    58 S   CO4  _C19    58     1.48335   120.67630   179.93147
   63    62 S   O    _O24    59     1.22586   121.98959  -179.65057
   64    61 S   CA   _C5_    49     1.39050   120.76163    -0.12820
   65    64 S   HA   _H31    50     1.08834   119.21072  -179.69290
   66    61 S   OH   _O27    56     1.36998   123.85935  -180.00000
   67    66 S   HO   _H43    57     0.97347   109.17573    -0.09691
   68    62 S   CM   _C17    60     1.46915   118.51470     0.36637
   69    68 S   HC   _H33    61     1.08435   117.56899   179.74359
   70    52 S   CA   _C13    51     1.42118   118.61408   -90.53791
   71    68 S   CM   _C16    62     1.32950   121.41073    -0.28531
   72    71 S   HC   _H32    63     1.08495   120.59365  -179.95577
   73    70 S   CT   _C25    52     1.50902   122.04836    -0.44323
   74    73 S   HC   _H40    53     1.09443   110.46597   -63.48929
   75    73 S   HC   _H41    54     1.09401   110.79276    58.30117
   76    73 S   HC   _H42    55     1.09526   111.37358   177.31773
   77    54 S   CO4  _C18    64     1.49672   121.27809    -0.15066
   78    77 S   O    _O23    65     1.22486   123.67936    -0.36154
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  11   7   2   1   1  11   4   7   4   3  10  11   4  11  16   5
   2   1   1  17   7  13   4   2   1  13   1   1  10   8   3   8
   3   2   1   5   3   5   3   2   3   2   1   1   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    59    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    55    59    60    40    41    42  
   38    39    43    59    40    41    42  
   36    37  
   37  
    0  
   39    43    44    45    46    53    55    59    40    41    42  
   43    44    55    40  
   41    42    43    53    55    59    60  
   42    55    59    60  
   55    59    60  
   44    45    46    47    53    55    59    60    56    48  
   45    46    47    52    53    55    59    48    49    50    51  
   46    47    55    48  
   47    52    54    70    53    55    56    48    49    50    51  
   52    54    58    64    70    73    77    53    55    59    56    57    48    49    50    51  
   49    50    51    52    53  
   50    51  
   51  
    0  
   54    58    61    64    65    70    73    74    75    76    62    71    77    78    53    55    56  
   55    59    60    56    57    54    70  
   58    61    64    70    73    66    62    63    68    71    72    77    78  
   59    60    56    57  
   57    59  
    0  
   61    64    65    70    66    67    62    63    68    69    71    77    78  
   60  
    0  
   64    65    70    73    66    67    62    63    68    77  
   63    68    69    71    72    77    64    66  
   68    69    71  
   65    70    73    74    75    76    66    67  
   70    73    66  
   67    70  
    0  
   69    71    72    77    78  
   71    72    77  
   73    74    75    76    77  
   72    77    78  
   77    78  
   74    75    76  
   75    76  
   76  
    0  
   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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    43   310.000  1.470
   43    44   469.000  1.400
   43    55   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   469.000  1.400
   46    48   317.000  1.510
   47    52   375.000  1.464
   47    53   469.000  1.400
   52    54   469.000  1.400
   52    70   469.000  1.400
   54    58   469.000  1.400
   54    77   310.000  1.470
   58    61   469.000  1.400
   58    62   310.000  1.470
   61    64   469.000  1.400
   61    66   450.000  1.364
   64    65   367.000  1.080
   64    70   469.000  1.400
   70    73   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   66    67   553.000  0.945
   62    63   570.000  1.229
   62    68   320.000  1.462
   68    69   340.000  1.080
   68    71   549.000  1.340
   71    72   340.000  1.080
   71    77   320.000  1.462
   77    78   570.000  1.229
   53    55   469.000  1.400
   53    56   450.000  1.364
   55    59   310.000  1.470
   59    60   570.000  1.229
   59    40   317.000  1.522
   40    41   340.000  1.090
   40    42   340.000  1.090
   56    57   553.000  0.945
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    43    65.00000  115.47100
   33    40    59    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    60.00000  119.52600
   38    43    55    60.00000  119.52600
   43    38    39    75.00000  123.78400
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    55    53    63.00000  120.00000
   43    55    59    60.00000  119.52600
   44    46    47    63.00000  120.00000
   44    46    48    70.00000  120.00000
   46    44    45    35.00000  120.00000
   46    47    52    60.00000  122.76000
   46    47    53    63.00000  120.00000
   46    48    49    35.00000  109.50000
   46    48    50    35.00000  109.50000
   46    48    51    35.00000  109.50000
   47    52    54    60.00000  122.76000
   47    52    70    60.00000  122.76000
   47    53    55    63.00000  120.00000
   47    53    56    70.00000  120.00000
   52    54    58    63.00000  120.00000
   52    54    77    60.00000  119.52600
   52    70    64    63.00000  120.00000
   52    70    73    70.00000  120.00000
   54    58    61    63.00000  120.00000
   54    58    62    60.00000  119.52600
   54    77    71    65.00000  117.02400
   54    77    78    75.00000  123.78400
   58    61    64    63.00000  120.00000
   58    61    66    70.00000  120.00000
   58    62    63    75.00000  123.78400
   58    62    68    65.00000  117.02400
   61    64    65    35.00000  120.00000
   61    64    70    63.00000  120.00000
   61    66    67    35.00000  113.00000
   64    70    73    70.00000  120.00000
   70    52    54    63.00000  120.00000
   70    64    65    35.00000  120.00000
   70    73    74    35.00000  109.50000
   70    73    75    35.00000  109.50000
   70    73    76    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   66    61    64    70.00000  120.00000
   62    58    61    60.00000  119.52600
   62    68    69    40.00000  117.72500
   62    68    71    65.00000  118.96000
   68    62    63    80.00000  123.72100
   68    71    72    35.00000  120.00000
   68    71    77    65.00000  118.96000
   71    68    69    35.00000  120.00000
   71    77    78    80.00000  123.72100
   77    54    58    60.00000  119.52600
   77    71    72    40.00000  117.72500
   53    47    52    60.00000  122.76000
   53    55    59    60.00000  119.52600
   53    56    57    35.00000  113.00000
   55    43    44    63.00000  120.00000
   55    59    60    75.00000  123.78400
   55    59    40    65.00000  115.47100
   59    40    41    35.00000  109.50000
   59    40    42    35.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    59    60    80.00000  120.40000
   42    40    41    33.00000  107.80000
   56    53    55    70.00000  120.00000
   48    46    47    70.00000  120.00000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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   0.30150 -1.0 2.0
   29    33    38    43   0.65300  1.0 1.0
   29    33    38    43  -0.03850 -1.0 2.0
   29    33    38    43   0.33900  1.0 3.0
   29    33    40    59   0.56750  1.0 1.0
   29    33    40    59  -0.07550 -1.0 2.0
   29    33    40    59   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    38    43    44   2.26350  1.0 1.0
   33    38    43    44   0.76750 -1.0 2.0
   33    38    43    44   0.22500  1.0 3.0
   33    38    43    55   2.26350  1.0 1.0
   33    38    43    55   0.76750 -1.0 2.0
   33    38    43    55   0.22500  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    59  -0.11250  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   38    33    40    59   0.11950  1.0 1.0
   38    33    40    59   0.20300 -1.0 2.0
   38    33    40    59  -0.70800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    42  -0.11250  1.0 3.0
   38    43    44    45   3.62500 -1.0 2.0
   38    43    44    46   3.62500 -1.0 2.0
   38    43    55    53   3.62500 -1.0 2.0
   38    43   -55    59   3.62500 -1.0 2.0
   39    38    43    44   1.05000 -1.0 2.0
   39    38    43    55   1.05000 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44    46    48   3.62500 -1.0 2.0
   43    55    59    60   1.05000 -1.0 2.0
   43    55    59    40   2.26350  1.0 1.0
   43    55    59    40   0.76750 -1.0 2.0
   43    55    59    40   0.22500  1.0 3.0
   44    43    55    53   3.62500 -1.0 2.0
   44    43    55    59   3.62500 -1.0 2.0
   44    46    47    52   3.62500 -1.0 2.0
   44    46   -47    53   3.62500 -1.0 2.0
   44    46    48    49   0.00000  1.0 1.0
   44    46    48    50   0.00000  1.0 1.0
   44    46    48    51   0.00000  1.0 1.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    47    52    54  -0.19450  1.0 1.0
   46    47    52    54   0.63300 -1.0 2.0
   46    47    52    54   0.07450  1.0 3.0
   46    47    52    70  -0.19450  1.0 1.0
   46    47    52    70   0.63300 -1.0 2.0
   46    47    52    70   0.07450  1.0 3.0
   46    47    53    55   3.62500 -1.0 2.0
   46    47    53    56   3.62500 -1.0 2.0
   47    46    48    49   0.00000  1.0 1.0
   47    46    48    50   0.00000  1.0 1.0
   47    46    48    51   0.00000  1.0 1.0
   47    52    54    58   3.62500 -1.0 2.0
   47    52    54    77   3.62500 -1.0 2.0
   47    52    70    64   3.62500 -1.0 2.0
   47    52    70    73   3.62500 -1.0 2.0
   47    53   -55    43   3.62500 -1.0 2.0
   47    53    55    59   3.62500 -1.0 2.0
   47    53    56    57   0.84100 -1.0 2.0
   52    47    53    55   3.62500 -1.0 2.0
   52    47    53    56   3.62500 -1.0 2.0
   52    54    58    61   3.62500 -1.0 2.0
   52    54    58    62   3.62500 -1.0 2.0
   52    54    77    71  -0.11500  1.0 1.0
   52    54    77    71   1.10450 -1.0 2.0
   52    54    77    71  -0.48050  1.0 3.0
   52    54    77    78   1.05000 -1.0 2.0
   52    70    73    74   0.00000  1.0 1.0
   52    70    73    75   0.00000  1.0 1.0
   52    70    73    76   0.00000  1.0 1.0
   54    52    70    64   3.62500 -1.0 2.0
   54    52    70    73   3.62500 -1.0 2.0
   54    58   -61    64   3.62500 -1.0 2.0
   54    58    61    66   3.62500 -1.0 2.0
   54    58    62    63   1.05000 -1.0 2.0
   54    58    62    68  -0.11500  1.0 1.0
   54    58    62    68   1.10450 -1.0 2.0
   54    58    62    68  -0.48050  1.0 3.0
   58    54    77    71  -0.11500  1.0 1.0
   58    54    77    71   1.10450 -1.0 2.0
   58    54    77    71  -0.48050  1.0 3.0
   58    54    77    78   1.05000 -1.0 2.0
   58    61    64    65   3.62500 -1.0 2.0
   58    61    64    70   3.62500 -1.0 2.0
   58    61    66    67   0.84100 -1.0 2.0
   58    62    68    69   1.64500 -1.0 2.0
   58    62   -68    71  -1.65800  1.0 1.0
   58    62   -68    71   0.77650 -1.0 2.0
   61    58    62    63   1.05000 -1.0 2.0
   61    58    62    68  -0.11500  1.0 1.0
   61    58    62    68   1.10450 -1.0 2.0
   61    58    62    68  -0.48050  1.0 3.0
   61    64   -70    52   3.62500 -1.0 2.0
   61    64    70    73   3.62500 -1.0 2.0
   64    61    66    67   0.84100 -1.0 2.0
   64    70    73    74   0.00000  1.0 1.0
   64    70    73    75   0.00000  1.0 1.0
   64    70    73    76   0.00000  1.0 1.0
   65    64    70    52   3.62500 -1.0 2.0
   65    64    70    73   3.62500 -1.0 2.0
   70    52   -54    58   3.62500 -1.0 2.0
   70    52    54    77   3.62500 -1.0 2.0
   66    61    64    65   3.62500 -1.0 2.0
   66    61    64    70   3.62500 -1.0 2.0
   62    58    61    64   3.62500 -1.0 2.0
   62    58    61    66   3.62500 -1.0 2.0
   62    68    71    72   7.00000 -1.0 2.0
   62    68    71    77   7.00000 -1.0 2.0
   63    62    68    69   0.00000  1.0 1.0
   63    62    68    71   1.00000 -1.0 2.0
   68    71   -77    54  -1.65800  1.0 1.0
   68    71   -77    54   0.77650 -1.0 2.0
   68    71    77    78   1.00000 -1.0 2.0
   69    68    71    72   7.00000 -1.0 2.0
   69    68    71    77   7.00000 -1.0 2.0
   72    71    77    54   1.64500 -1.0 2.0
   72    71    77    78   0.00000  1.0 1.0
   77    54    58    61   3.62500 -1.0 2.0
   77    54   -58    62   3.62500 -1.0 2.0
   53    47    52    54  -0.19450  1.0 1.0
   53    47    52    54   0.63300 -1.0 2.0
   53    47    52    54   0.07450  1.0 3.0
   53    47    52    70  -0.19450  1.0 1.0
   53    47    52    70   0.63300 -1.0 2.0
   53    47    52    70   0.07450  1.0 3.0
   53    55    59    60   1.05000 -1.0 2.0
   53    55    59    40   2.26350  1.0 1.0
   53    55    59    40   0.76750 -1.0 2.0
   53    55    59    40   0.22500  1.0 3.0
   55    43    44    45   3.62500 -1.0 2.0
   55    43   -44    46   3.62500 -1.0 2.0
   55    53    56    57   0.84100 -1.0 2.0
   55    59   -40    33   0.05850 -1.0 2.0
   55    59   -40    33   0.17250  1.0 3.0
   55    59    40    41   0.00000  1.0 1.0
   55    59    40    42   0.00000  1.0 1.0
   60    59    40    33   0.30150 -1.0 2.0
   60    59    40    41   0.00000  1.0 1.0
   60    59    40    42   0.00000  1.0 1.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    43   0.05850 -1.0 2.0
   40    33   -38    43   0.17250  1.0 3.0
   56    53    55    43   3.62500 -1.0 2.0
   56    53    55    59   3.62500 -1.0 2.0
   48    46    47    52   3.62500 -1.0 2.0
   48    46    47    53   3.62500 -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
   37    30    35    36  10.50000 -1.0 2.0
   33    43    38    39  10.50000 -1.0 2.0
   44    55    43    38   4.00000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   47    48    46    44   4.00000 -1.0 2.0
   52    53    47    46   4.00000 -1.0 2.0
   54    70    52    47   4.00000 -1.0 2.0
   58    77    54    52   4.00000 -1.0 2.0
   61    62    58    54   4.00000 -1.0 2.0
   64    66    61    58   4.00000 -1.0 2.0
   70    65    64    61   1.10000 -1.0 2.0
   64    73    70    52   4.00000 -1.0 2.0
   58    68    62    63  10.50000 -1.0 2.0
   62    69    68    71   1.10000 -1.0 2.0
   77    72    71    68   1.10000 -1.0 2.0
   54    71    77    78  10.50000 -1.0 2.0
   55    56    53    47   4.00000 -1.0 2.0
   53    59    55    43   4.00000 -1.0 2.0
   55    40    59    60  10.50000 -1.0 2.0
END
